SCHEMBL4589681

SCHEMBL4589681

COc1cc2cccnc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 13/20 0.58
CCNB2 O95067 1/20 0.58
CDK1 P06493 1/20 0.58
CCNB1 P14635 1/20 0.58
CCNB3 Q8WWL7 1/20 0.58
DAO P14920 1/20 0.49
IGF1R P08069 1/20 0.46
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
MAPT P10636 1/20 0.43
SNCA P37840 1/20 0.43
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
AXL P30530 1/20 0.41
NUDT1 P36639 1/20 0.41

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
SCHEMBL27652251 0.78 RIPK1 (0.50) RIPK1CCNB2CDK1CCNB1CCNB3
Hydrochloric Acid SCHEMBL27719521 0.77 RIPK1 (0.49) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL15566492 0.76 DAO (0.51) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL29588694 0.76 ALDH1A1 (0.55) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL12333 0.75 DAO (0.53) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL575029 0.75 DAO (0.53) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1778522 0.74 RIPK1 (1.00) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL31064954 0.74 RIPK1 (1.00) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL31710670 0.74 RIPK1 (0.61) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL27889519 0.73 CCNB2 (0.68) RIPK1CCNB2CDK1CCNB1CCNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250230157-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS RAPPORT THERAPEUTICS, INC. 2025-07-17 US disclosed
CN-111065393-A Pyrrolopyridine-anilines for the treatment of skin diseases 恩福莱克逊治疗有限公司 2020-04-24 CN disclosed
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-20140205537-A1 LRRK2 INHIBITORS ZENOBIA THERAPEUTICS, INC. (US) 2014-07-24 US disclosed
EP-1885723-A2 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2008-02-13 EP disclosed
WO-2007013896-A2 PYRROL (2,3-B) PYRIDINE DERIVATIVES PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-02-01 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 (2 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-20140205537-A1 LRRK2 INHIBITORS LRRK2, PARK7, MAP2 RIPK1 144/4885CCNB2 3230/4885CDK1 619/4885
US-20250230157-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GRIN2B, GRIN3A RIPK1 2340/4885CCNB2 2360/4885CDK1 1138/4885

“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.