SCHEMBL25982008

SCHEMBL25982008

Cc1cc(C#N)c(N)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 5/20 0.34
USP2 O75604 1/20 0.34
XDH P47989 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
ADRB2 P07550 4/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
ADRB1 P08588 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
GRM6 O15303 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
SCHEMBL11040427 0.83 KDM4E (0.41) TSHRKDM4EALDH1A1USP2XDH
SCHEMBL28052733 0.82 ALDH1A1 (0.39) TSHRKDM4EALDH1A1USP2MAPT
Hydrochloric Acid SCHEMBL28047236 0.80 ALDH1A1 (0.37) TSHRKDM4EALDH1A1USP2MAPT
SCHEMBL11039790 0.78 KDM4E (0.41) TSHRKDM4EALDH1A1USP2MAPT
SCHEMBL14349076 0.78 TSHR (0.42) TSHRKDM4EALDH1A1MAPTTDP1
SCHEMBL7152228 0.74 TSHR (0.39) TSHRKDM4EALDH1A1USP2MAPT
SCHEMBL10872733 0.74 TSHR (0.39) TSHRKDM4EALDH1A1USP2MAPT
SCHEMBL2656947 0.74 TSHR (0.36) TSHRKDM4EALDH1A1USP2XDH
SCHEMBL18330714 0.74 KDM4E (0.41) TSHRKDM4EALDH1A1USP2MAPT
SCHEMBL15797512 0.74 KDM4E (0.34) TSHRKDM4EALDH1A1USP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250074-A1 PROCESS FOR SYNTHESIS OF QUINAZOLINE COMPOUNDS GENENTECH, INC. (US) 2023-08-10 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 (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-20230250074-A1 PROCESS FOR SYNTHESIS OF QUINAZOLINE COMPOUNDS HCCS, NQO2, SQLE TSHR 3734/4885KDM4E 2451/4885ALDH1A1 3225/4885

“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.