SCHEMBL5493377

SCHEMBL5493377

Nc1ncn2ccncc12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.39
CDC7 O00311 2/20 0.34
CDK2 P24941 2/20 0.34
SRC P12931 1/20 0.34
MAPT P10636 4/20 0.33
HSP90AA1 P07900 1/20 0.33
IDO1 P14902 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL399396 0.83 NUDT1 (0.48) NUDT1CDC7CDK2SRCMAPT
Hydrochloric Acid SCHEMBL30404265 0.82 NUDT1 (0.47) NUDT1CDC7CDK2SRCMAPT
SCHEMBL5493982 0.75 MAPT (0.36) SRCMAPTIDO1
SCHEMBL5316693 0.75 SRC (0.34) SRCMAPTIDO1
SCHEMBL12920665 0.75 SRC (0.41) SRCMAPTIDO1
SCHEMBL26121351 0.75 SRC (0.34) SRCMAPTIDO1
SCHEMBL30197390 0.72 ADORA3 (0.39) SRCMAPTIDO1LMNA
SCHEMBL439909 0.71 SRC (0.32) SRCMAPTLMNA
SCHEMBL21672753 0.71 SRC (0.35) SRC
SCHEMBL31055794 0.71 MAPT (0.38) SRCMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199616-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-06-20 US disclosed
US-11739093-B2 Substituted pyrazolopyrazines, imidazopyrazines and [1,2,4]triazolopyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-08-29 US disclosed
WO-2018136265-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2018-07-26 WO disclosed
US-7306631-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-11 US disclosed
EP-1732509-A1 KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION The Procter and Gamble Company (US) 2006-12-20 EP disclosed
WO-2005097052-A1 KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION THE PROCTER & GAMBLE COMPANY (US) 2005-10-20 WO disclosed
US-20050229333-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-20 US 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 (3 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-20240199616-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN18, PTPN1, PTPN2 NUDT1 3312/4885CDC7 2054/4885CDK2 818/4885
US-11739093-B2 Substituted pyrazolopyrazines, imidazopyrazines and [1,2,4]triazolopyrazines as allosteric SHP2 inhibitors PTPN5, PTPN2, PTPN4 NUDT1 4059/4885CDC7 1774/4885CDK2 733/4885
US-20050229333-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, JUP NUDT1 2262/4885CDC7 1817/4885CDK2 1306/4885

“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.