SCHEMBL2183458

SCHEMBL2183458

Cc1cc(-c2ccc(N)cc2C#N)ccn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 6/20 0.47
AAK1 Q2M2I8 3/20 0.45
CYP3A4 P08684 1/20 0.45
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MTOR P42345 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
LRRK2 Q5S007 2/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
MAP4K4 O95819 1/20 0.38

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
SCHEMBL24767209 0.84 WNT3A (0.48) WNT3AAAK1CYP3A4PSEN1PSEN2
SCHEMBL22886742 0.82 WNT3A (0.47) WNT3AAAK1CYP3A4PSEN1PSEN2
SCHEMBL23910090 0.82 ADORA2B (0.47) WNT3AAAK1CYP3A4KDM4EUSP2
SCHEMBL20329371 0.81 AAK1 (0.49) AAK1CYP3A4KDM4EUSP2ALDH1A1
SCHEMBL20329372 0.81 MTOR (0.45) WNT3AAAK1CYP3A4KDM4EUSP2
SCHEMBL24767258 0.81 WNT3A (0.54) WNT3AAAK1CYP3A4MTORPSEN1
SCHEMBL8111393 0.79 KDM4E (0.45) CYP3A4KDM4EUSP2ALDH1A1LRRK2
SCHEMBL18504874 0.79 CCNC (0.43) WNT3AALDH1A1MTORCCNCCDK8
SCHEMBL23909957 0.79 KDM4E (0.41) WNT3AKDM4EUSP2ALDH1A1
SCHEMBL23909979 0.78 AAK1 (0.44) AAK1CYP3A4KDM4EUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
US-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US disclosed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP disclosed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS TSLP, IL5, TRPA1 WNT3A 2879/4885AAK1 2722/4885CYP3A4 135/4885
US-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 WNT3A 1903/4885AAK1 1482/4885CYP3A4 3765/4885

“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.