SCHEMBL6673320

SCHEMBL6673320

CNc1ccc(-c2ccc(C)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.55
ABL1 P00519 1/20 0.55
NTRK1 P04629 1/20 0.55
LCK P06239 1/20 0.55
CSF1R P07333 1/20 0.55
RET P07949 1/20 0.55
MET P08581 1/20 0.55
PDGFRB P09619 1/20 0.55
PIM1 P11309 1/20 0.55
PDGFRA P16234 1/20 0.55
FLT3 P36888 1/20 0.55
MAPK8 P45983 1/20 0.55
CDK8 P49336 1/20 0.55
MAP2K1 Q02750 1/20 0.55
MAP4K2 Q12851 1/20 0.55
ROCK1 Q13464 1/20 0.55
NTRK3 Q16288 1/20 0.55
MAPK14 Q16539 1/20 0.55
AURKB Q96GD4 1/20 0.55
KDM1A O60341 1/20 0.46

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
SCHEMBL22678028 0.89 CCR1 (0.56) AURKAABL1NTRK1LCKCSF1R
SCHEMBL1744310 0.85 PTPN1 (0.55) AURKAABL1NTRK1LCKCSF1R
SCHEMBL22911701 0.83 PTPN1 (0.42) AURKAABL1NTRK1LCKCSF1R
SCHEMBL9057614 0.82 BAZ2B (0.53) PTPN1PTPN2CYP3A4BAZ2BCYP11B1
SCHEMBL3152503 0.81 CCR1 (0.46) AURKAABL1NTRK1LCKCSF1R
SCHEMBL14355084 0.81 CYP11B1 (0.45) AURKAABL1NTRK1LCKCSF1R
SCHEMBL2322131 0.80 AURKA (0.55) AURKAABL1NTRK1LCKCSF1R
SCHEMBL26846320 0.80 AURKA (0.58) AURKAABL1NTRK1LCKCSF1R
SCHEMBL23742279 0.79 PTPN1 (0.50) AURKAABL1NTRK1LCKCSF1R
SCHEMBL2477927 0.79 CCR1 (0.71) AURKAABL1NTRK1LCKCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 EP disclosed
EP-1465613-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-10-13 EP disclosed
US-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-08-28 US disclosed
WO-2003057205-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-07-17 WO disclosed
WO-2003004020-A1 HETEROARYL CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-16 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-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals APOB, LIPC, MTPN AURKA 3376/4885ABL1 3439/4885NTRK1 3998/4885

“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.