SCHEMBL2215683

SCHEMBL2215683

O=C(O)c1cc2c3ccccc3n(Cc3ccccc3)c2cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.57
P2RX4 Q99571 1/20 0.51
CNR2 P34972 4/20 0.49
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC10 Q969S8 1/20 0.47
SRC P12931 1/20 0.47
FOLH1 Q04609 1/20 0.46

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
SCHEMBL27899802 0.92 MAPT (0.54) CYP19A1KMT2AMEN1ALDH1A1MAPT
SCHEMBL27899787 0.91 MEN1 (0.50) CYP19A1CNR2KDM4EKMT2AMEN1
SCHEMBL25189259 0.88 CCR9 (0.49) CYP19A1CNR2KDM4EMAPTHDAC6
SCHEMBL4169127 0.87 CYP19A1 (0.51) CYP19A1P2RX4CNR2KDM4EKMT2A
SCHEMBL5850826 0.87 HDAC6 (0.59) CYP19A1P2RX4CNR2HDAC6HDAC1
SCHEMBL2214460 0.86 CNR2 (0.55) CYP19A1P2RX4CNR2KDM4EKMT2A
SCHEMBL2215492 0.85 CNR2 (0.57) CYP19A1P2RX4CNR2KDM4EKMT2A
SCHEMBL2212614 0.85 CNR2 (0.56) CNR2KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL2214890 0.85 CNR2 (0.46) CYP19A1CNR2KDM4EKMT2AMEN1
SCHEMBL2215826 0.85 CNR2 (0.56) CNR2KDM4EKMT2AALDH1A1HDAC6

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
CN-109288838-A B-carboline -3- carboxylic acid dimer is used to prepare the application for preventing and treating anti-lung-cancer medicament 西北农林科技大学 2019-02-01 CN disclosed
CN-102952151-B 3 double β carbolines alkaloid compounds, its preparation method and its pharmaceutical composition and purposes 新疆华世丹药物研究有限责任公司 2017-07-28 CN 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
CN-101429198-B Banisterine derivant and uses thereof XINJIANG HUASHIDAN MEDICAMENTS RES CO LTD 2013-10-23 CN disclosed
CN-102952151-A 3-position bis-beta-carboline alkali compound, and preparation method, pharmaceutical composition and application thereof XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD 2013-03-06 CN 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
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-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

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

For each of this compound's patents that has machine-readable text (1 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-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo TPH1, HTR1F, TPH2 CYP19A1 445/4885P2RX4 1233/4885CNR2 156/4885

“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.