SCHEMBL17876454

SCHEMBL17876454

CCc1nc2c(F)cccn2c1C(=O)NCc1ccc(N2CCN(c3ccc(C)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.56
CYP2C19 P33261 6/20 0.56
CYP3A4 P08684 3/20 0.56
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACE2 Q9BYF1 1/20 0.42
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CA1 P00915 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
SCHEMBL12295712 0.94 CYP2C9 (0.65) CYP2C9CYP2C19CYP3A4SMN1; SMN2ACE2
SCHEMBL17876490 0.94 CYP2C9 (0.57) CYP2C9CYP2C19CYP3A4ACE2TP53
SCHEMBL17876484 0.92 CYP2C9 (0.65) CYP2C9CYP2C19CYP3A4KMT2ASMN1; SMN2
SCHEMBL17876432 0.92 CYP2C9 (0.62) CYP2C9CYP2C19CYP3A4KMT2AMEN1
SCHEMBL2402077 0.91 CYP2C9 (0.54) CYP2C9CYP2C19CYP3A4ACE2TP53
SCHEMBL17876461 0.91 CYP2C9 (0.54) CYP2C9CYP2C19CYP3A4KMT2AMEN1
SCHEMBL17876456 0.90 CYP2C9 (0.55) CYP2C9CYP2C19CYP3A4SMN1; SMN2MAPT
SCHEMBL17876615 0.90 CYP2C9 (0.54) CYP2C9CYP2C19CYP3A4ACE2CA1
SCHEMBL17876520 0.90 CYP2C9 (0.53) CYP2C9CYP2C19CYP3A4KMT2AMEN1
SCHEMBL16447519 0.89 CYP2C9 (0.53) CYP2C9CYP2C19CYP3A4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027615-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2021-07-21 EP disclosed
US-20160185774-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2016-06-30 US disclosed
US-20160185774-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2016-06-30 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-20160185774-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 CYP2C9 4235/4885CYP2C19 4181/4885CYP3A4 2915/4885

“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.