SCHEMBL4047301

SCHEMBL4047301

Clc1ccc(Nc2ncnn3c(Br)ccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.51
EGFR P00533 4/20 0.51
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRNA7 P36544 1/20 0.42
HTR3A P46098 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPK1 P28482 1/20 0.42
TTBK1 Q5TCY1 2/20 0.41
TTBK2 Q6IQ55 2/20 0.41
MAP4K4 O95819 3/20 0.41
MKNK1 Q9BUB5 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL4046755 0.72 EGFR (0.71) KDREGFRKDM4EMEN1KMT2A
SCHEMBL21199010 0.69 MAPT (0.44) KDREGFRKDM4EMEN1KMT2A
SCHEMBL25219260 0.69 CHRNA7 (0.38) KDREGFRCHRNA7HTR3AKCNH2
SCHEMBL23747082 0.67 CCR4 (0.46) MEN1KMT2AHSD17B10NR1I2
SCHEMBL22516695 0.67 KDM4E (0.66) KDREGFRKDM4EMEN1KMT2A
SCHEMBL21199258 0.66 LDHA (0.45) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL6844956 0.65 CHRNA7 (0.34) KDREGFRKDM4EALDH1A1CHRNA7
SCHEMBL868211 0.65 CHRNA7 (0.34) KDREGFRCHRNA7HTR3AKCNH2
SCHEMBL23747015 0.65 CCR4 (0.42) EGFRKDM4EMEN1KMT2AALDH1A1
SCHEMBL23746985 0.65 ALDH1A1 (0.49) KDM4EKMT2AALDH1A1CHRNA7HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP claimed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 US claimed
CN-1351498-B Pyrrolotriazines inhibitors of kinases BRISTOL MYERS SQUIBB CO 2012-08-15 CN disclosed
EP-1669071-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2009-07-22 EP disclosed
US-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-7112675-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 US disclosed
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-06-15 US disclosed
EP-1669071-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-14 EP disclosed
EP-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP disclosed
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 US disclosed
EP-1183033-A4 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2002-07-17 EP disclosed
CN-1351498-A Pyrrolotriazines inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2002-05-29 CN disclosed
EP-1183033-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-06 EP disclosed
WO-2000071129-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-30 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-20060128709-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 KDR 8/4885EGFR 27/4885KDM4E 2692/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 KDR 8/4885EGFR 27/4885KDM4E 2692/4885

“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.