SCHEMBL3718596

SCHEMBL3718596

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.64
EGFR P00533 3/20 0.59
ALDH1A1 P00352 2/20 0.59
RAB9A P51151 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPT P10636 1/20 0.59
LCK P06239 4/20 0.59
CSF1R P07333 4/20 0.59
MAPK14 Q16539 2/20 0.59
KDR P35968 1/20 0.58
ERBB4 Q15303 1/20 0.58
HDAC6 Q9UBN7 1/20 0.57
NPC1 O15118 1/20 0.57
ABL1 P00519 3/20 0.57
BCR P11274 1/20 0.55
KIT P10721 4/20 0.55
DDR2 Q16832 1/20 0.54
NR1H4 Q96RI1 1/20 0.54
RET P07949 1/20 0.54

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
SCHEMBL4006161 0.90 BTK (0.63) BTKEGFRALDH1A1RAB9AKDM4E
SCHEMBL3721144 0.89 BTK (0.62) BTKEGFRALDH1A1RAB9AKDM4E
SCHEMBL15381992 0.89 BTK (0.69) BTKEGFRALDH1A1RAB9AKDM4E
SCHEMBL846560 0.85 BTK (0.65) BTKEGFRALDH1A1RAB9AKDM4E
SCHEMBL31436860 0.85 BTK (0.65) BTKEGFRALDH1A1RAB9AKDM4E
SCHEMBL17936182 0.85 KIT (0.66) BTKEGFRALDH1A1RAB9AKDM4E
SCHEMBL30080653 0.85 KIT (0.66) BTKEGFRALDH1A1RAB9AKDM4E
SCHEMBL846574 0.85 BTK (0.65) BTKEGFRALDH1A1RAB9AKDM4E
SCHEMBL3721655 0.84 BTK (0.64) BTKEGFRALDH1A1RAB9AKDM4E
SCHEMBL21400972 0.84 NPC1 (0.79) BTKEGFRALDH1A1RAB9ALCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396325-B1 DERIVATIVES OF AZAINDOLES AS INHIBITORS OF PROTEIN KINASES ABL AND SRC ORIBASE PHARMA (FR) 2015-04-01 EP disclosed
EP-2396325-B1 DERIVATIVES OF AZAINDOLES AS INHIBITORS OF PROTEIN KINASES ABL AND SRC ORIBASE PHARMA (FR) 2015-04-01 EP disclosed
US-8580815-B2 Derivatives of azaindoles as inhibitors of protein kinases ABL and SRC ORIBASE PHARMA (FR) 2013-11-12 US disclosed
US-8580815-B2 Derivatives of azaindoles as inhibitors of protein kinases ABL and SRC ORIBASE PHARMA (FR) 2013-11-12 US disclosed
US-20110312959-A1 Derivatives of Azaindoles as Inhibitors of Protein Kinases ABL and SRC ORIBASE PHARMA (FR) 2011-12-22 US disclosed
US-20110312959-A1 Derivatives of Azaindoles as Inhibitors of Protein Kinases ABL and SRC ORIBASE PHARMA (FR) 2011-12-22 US disclosed
EP-2396325-A1 DERIVATIVES OF AZAINDOLES AS INHIBITORS OF PROTEIN KINASES ABL AND SRC OriBase Pharma (FR) 2011-12-21 EP disclosed
WO-2010092489-A1 DERIVATIVES OF AZAINDOLES AS INHIBITORS OF PROTEIN KINASES ABL AND SRC NOVA DECISION (FR) 2010-08-19 WO disclosed
WO-2010092489-A1 DERIVATIVES OF AZAINDOLES AS INHIBITORS OF PROTEIN KINASES ABL AND SRC NOVA DECISION (FR) 2010-08-19 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 (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-20110312959-A1 Derivatives of Azaindoles as Inhibitors of Protein Kinases ABL and SRC ABL1, ABL2, SRC BTK 6/4885EGFR 200/4885ALDH1A1 1770/4885

“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.