SCHEMBL7614042

SCHEMBL7614042

CCn1nccc1N/C=C1\C(=O)Nc2ncc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.41
FLT3 P36888 1/20 0.39
RAF1 P04049 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
JAK3 P52333 1/20 0.31
MAP3K11 Q16584 1/20 0.31
TGM2 P21980 1/20 0.30

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
SCHEMBL7614047 1.00 NTRK1 (0.41) NTRK1FLT3RAF1CCNA2CDK2
SCHEMBL7606157 0.85 JAK3 (0.41) NTRK1FLT3CDK2JAK3MAP3K11
SCHEMBL7606158 0.85 JAK3 (0.41) NTRK1FLT3CDK2JAK3MAP3K11
SCHEMBL7605175 0.83 MAPT (0.44) NTRK1FLT3RAF1CCNKCDK12
SCHEMBL7605173 0.83 MAPT (0.44) NTRK1FLT3RAF1CCNKCDK12
SCHEMBL7607108 0.82 ALDH1A1 (0.38)
SCHEMBL7607104 0.82 ALDH1A1 (0.38)
SCHEMBL7613336 0.82 MAP3K11 (0.36) CCNA2CDK2JAK3MAP3K11
SCHEMBL7613343 0.82 MAP3K11 (0.36) CCNA2CDK2JAK3MAP3K11
SCHEMBL7614310 0.82 JAK3 (0.35) FLT3CCNKCDK12JAK3MAP3K11

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-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia GLENNON KIMBERLEY CAROLINE (US) 2002-07-25 US claimed

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-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia PRKDC, PRKX, BMX NTRK1 1095/4885FLT3 198/4885RAF1 22/4885

“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.