SCHEMBL26317702

SCHEMBL26317702

COc1ccnc2cccc(C#N)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.45
MAP2K1 Q02750 1/20 0.45
SRC P12931 2/20 0.44
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
TGFBR1 P36897 1/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 3/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 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
SCHEMBL18378884 0.76 TGFBR1 (0.45) TGFBR1ALDH1A1KDM4EHPGDPOLB
SCHEMBL8781926 0.75 DCPS (0.47) TGFBR1ALDH1A1KDM4EHPGD
SCHEMBL6464808 0.75 LRRK2 (0.50) MAP2K1SRCALDH1A1DYRK1A
SCHEMBL8781923 0.75 TGFBR1 (0.43) TGFBR1ALDH1A1EGFRKDM4EHPGD
SCHEMBL26317662 0.75 TGFBR1 (0.45) TGFBR1ALDH1A1KDM4EHPGD
SCHEMBL22554335 0.75 MAP2K1 (0.37) MAP2K1TGFBR1ALDH1A1DYRK1AKDM4E
SCHEMBL2202697 0.74 SRC (0.59) RAF1MAP2K1SRCEGFRERBB2
SCHEMBL23097812 0.72 TGFBR1 (0.44) TGFBR1ALDH1A1EGFRKDM4EHPGD
SCHEMBL19957128 0.72 MET (0.52) SRCIMPDH2IMPDH1EGFRERBB2
SCHEMBL18368397 0.72 TGFBR1 (0.41) TGFBR1ALDH1A1KDM4EHPGD

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR RAF1 227/4885MAP2K1 1163/4885SRC 648/4885

“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.