SCHEMBL1921747

SCHEMBL1921747

COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccc(OC)cc2)N1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.82
PDE5A O76074 5/20 0.72
KDM4E B2RXH2 3/20 0.68
TSHR P16473 2/20 0.68
HSD17B10 Q99714 2/20 0.68
HTT P42858 1/20 0.68
HDAC1 Q13547 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
CYP2D6 P10635 3/20 0.62
MAPK1 P28482 1/20 0.62
ALDH1A1 P00352 3/20 0.61
ALOX12 P18054 1/20 0.61
CYP2C19 P33261 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CYP1A2 P05177 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16489369 1.00 CCKBR (0.82) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL1922130 1.00 CCKBR (0.82) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL12967653 1.00 CCKBR (0.82) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL12967991 1.00 CCKBR (0.82) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL5116651 0.91 CCKBR (0.74) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL4600163 0.91 CCKBR (0.85) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL13402875 0.91 CCKBR (0.85) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL16489366 0.91 CCKBR (0.85) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL1921528 0.91 CCKBR (0.85) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL17760646 0.91 CCKBR (0.85) CCKBRPDE5AKDM4ETSHRHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220242823-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MINERVA BIOTECHNOLOGIES CORPORATION 2022-08-04 US disclosed
US-20210299109-A1 AGENTS FOR TREATING CANCER AND METHODS FOR IDENTIFYING SAID AGENTS MINERVA BIOTECHNOLOGIES CORPORATION 2021-09-30 US disclosed
US-20210087143-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MINERVA BIOTECHNOLOGIES CORP (US) 2021-03-25 US disclosed
US-8772311-B2 Harmine derivatives, intermediates used in their preparations, preparation processes and use thereof XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2014-07-08 US disclosed
EP-1634881-B1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD (CN) 2011-07-27 EP disclosed
EP-2327408-A1 Tetracyclic cyclic gmp-specific phosphodiesterase inhibitors for the treatment of benign prostatic hypertrophy ICOS Corporation (US) 2011-06-01 EP disclosed
US-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2009-09-10 US disclosed
EP-2036560-A1 (6R,12aR)-2,3,6,7,12,12a-hexahydro-2-methyl-6-(3,4-methylenedioxyphenyl)-pyrazino[2',1':6,1]pyrido[3,4-b]indole-1,4-dione for the treatment of benign prostatic hypertrophy ICOS Corporation (US) 2009-03-18 EP disclosed
EP-1634881-A1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF Xinjiang Huashidan Pharmaceutical Research Co., Ltd. (CN) 2006-03-15 EP disclosed
US-6784179-B2 treating a vascular disease by administering e.g. tadalafil in combination with an endothelium-derived relaxing factor, an atrial natriuretic factor, a brain natriuretic peptide, a C-type natriuretic peptide, or an endothelium-dependent relaxing agent such as serotonin ICOS CORPORATION 2004-08-31 US disclosed
US-6369059-B1 INHIBITOR OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP SPECIFIC PDE); CARDIOVASCULAR DISORDERS; PYRAZINO(2',1':6,1)PYRIDO(3,4-B)INDOLE-1,4-DIONES ICOS CORPORATION 2002-04-09 US disclosed
EP-0859778-B1 TETRAHYDROIMIDAZOPYRIDOINDOLEDIONES AS INHIBITORS OF cGMP SPECIFIC PDE ICOS CORP (US) 2001-12-19 EP disclosed
US-6218400-B1 TREATING ANGINA, HYPERTENSION, PULMONARY DISEASE, VASCULAR DISORDERS, STROKE, BRONCHITIS, ASTHMA, RHINITIS, GLAUCOMA, SEXUAL DISORDERS, AND DISORDERS OF GUT MOTILITY ICOS CORPORATION 2001-04-17 US disclosed
US-6143746-A Combination of tadalafil and another drug for cGMP-specific PDE inhibition; erectile dysfunction, cardiovascular disorders ICOS CORPORATION (US) 2000-11-07 US disclosed
US-6127542-A CHEMICAL INTERMEDIATES TO SPECIFIED PYRAZINO(2',1':6,1)PYRIDO(3,4B)INDOLE-1,4-DIONES WHICH ARE SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE; TO TREAT CARDIOVASCULAR DISORDERS ICOS CORPORATION (US) 2000-10-03 US disclosed
US-6025494-A CYCLIZATION OF DICARBONYL-SUBSTITUTED PYRIDOINDOLES YIELDS PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2000-02-15 US disclosed
US-6001847-A 5,6,11,11A-TETRAHYDRO-1H-IMIDAZO(1'5':1,6)PYRIDO(3,4-B)INDOLE -1,3(2H)-DIONE DERIVATIVES; INHIBITORS OF CGMP SPECIFIC PHOSPHODIESTERASE; CARDIOVASCULAR DISORDERS; ERECTILE DYSFUNCTION ICOS CORPORATION (US) 1999-12-14 US disclosed
EP-0740668-B1 TETRACYCLIC DERIVATIVES, PROCESS OF PREPARATION AND USE ICOS CORP (US) 1998-07-29 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210299109-A1 AGENTS FOR TREATING CANCER AND METHODS FOR IDENTIFYING SAID AGENTS MCL1, CD44, EPCAM CCKBR 4149/4885PDE5A 3680/4885KDM4E 970/4885
US-20210087143-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MCL1, CD44, CRABP2 CCKBR 3421/4885PDE5A 4218/4885KDM4E 2543/4885
US-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo TPH1, HTR1F, TPH2 CCKBR 1115/4885PDE5A 1690/4885KDM4E 2869/4885
US-20220242823-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MCL1, CD44, CRABP2 CCKBR 3421/4885PDE5A 4218/4885KDM4E 2543/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.