SCHEMBL2233880

SCHEMBL2233880

CN1CCN(c2ccc(NC(=N)N)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.57
NPC1 O15118 9/20 0.57
GAA P10253 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
ADRA2C P18825 1/20 0.55
GFER P55789 1/20 0.55
PTK2B Q14289 1/20 0.55
ESR2 Q92731 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 1/20 0.52
TSHR P16473 1/20 0.52
POLB P06746 1/20 0.52
KDM1A O60341 4/20 0.51
MAOA P21397 4/20 0.51
MAOB P27338 4/20 0.51
KDM1B Q8NB78 4/20 0.51

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
Hydrochloric Acid SCHEMBL658863 0.98 NPC1 (0.56) RAB9ANPC1GAAKMT2AKDM4E
Nitric Acid SCHEMBL2075593 0.90 SIRT6 (0.54) RAB9ANPC1GAAKMT2AALDH1A1
SCHEMBL12727668 0.86 RAB9A (0.57) RAB9ANPC1GAAKMT2AKDM4E
SCHEMBL1430921 0.85 RAB9A (0.64) RAB9ANPC1GAAKMT2ASMN1; SMN2
SCHEMBL3613703 0.85 NPC1 (0.56) RAB9ANPC1GAAKMT2AKDM4E
SCHEMBL4166259 0.84 MAPT (0.61) RAB9ANPC1GAAKMT2AKDM4E
SCHEMBL10138632 0.83 RAB9A (0.55) RAB9ANPC1GAAKMT2AKDM4E
SCHEMBL3966558 0.83 ADRA2C (0.55) RAB9ANPC1GAAKMT2AKDM4E
SCHEMBL4170782 0.82 GFER (0.62) RAB9ANPC1GAAKMT2AKDM4E
SCHEMBL27113988 0.82 MAPT (0.48) RAB9ANPC1GAAKMT2AKDM4E

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250011333-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2025-01-09 US disclosed
WO-2024020419-A1 AZA-QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
US-20210300935-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences, S.R.L. (IT) 2021-09-30 US disclosed
CN-106795154-B Isoquinolinone derivatives for treating cancer 皮埃尔法布雷医药公司 2019-07-05 CN disclosed
US-20190194214-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-06-27 US disclosed
US-10280176-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-05-07 US disclosed
US-9944641-B2 Isoquinolinone derivatives useful in the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2018-04-17 US disclosed
US-9944641-B2 Isoquinolinone derivatives useful in the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2018-04-17 US disclosed
US-9944641-B2 Isoquinolinone derivatives useful in the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2018-04-17 US disclosed
US-20170240544-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-08-24 US disclosed
US-20070185143-A1 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-08-09 US disclosed
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP disclosed
CN-1826343-A Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors PHARMACIA ITALIA SPA (IT) 2006-08-30 CN disclosed
EP-1636236-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES,PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2006-03-22 EP disclosed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 WO disclosed
EP-1551842-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
WO-2004104007-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES,PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2004-12-02 WO disclosed
EP-1463730-A1 PYRAZOLOPARIDAZINE DERIVATIVES SmithKline Beecham Corporation (US) 2004-10-06 EP disclosed
WO-2004035588-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO disclosed
WO-2003051886-A1 PYRAZOLOPYRIDAZINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-06-26 WO 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 (6 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-20210300935-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 RAB9A 599/4885NPC1 3675/4885GAA 1415/4885
US-20190194214-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 RAB9A 597/4885NPC1 3664/4885GAA 1416/4885
US-10280176-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors MAP3K5, MAP3K9, MAP4K2 RAB9A 597/4885NPC1 3664/4885GAA 1416/4885
US-20250011333-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 RAB9A 599/4885NPC1 3675/4885GAA 1415/4885
US-20070185143-A1 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors MAP3K5, MAP3K9, MAP3K19 RAB9A 562/4885NPC1 3434/4885GAA 1487/4885
US-20170240544-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER TP53, KRAS, AQP1 RAB9A 648/4885NPC1 484/4885GAA 2238/4885

“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.