SCHEMBL17876502

SCHEMBL17876502

CCc1nc2cc(F)ccn2c1C(=O)NCc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.72
CYP2C19 P33261 5/20 0.72
CYP3A4 P08684 3/20 0.72
TP53 P04637 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.41
REV1 Q9UBZ9 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL17876489 0.94 CYP2C9 (0.65) CYP2C9CYP2C19CYP3A4TP53ACE2
SCHEMBL17876515 0.94 CYP2C9 (0.65) CYP2C9CYP2C19CYP3A4TP53ACE2
SCHEMBL17876510 0.94 CYP2C9 (0.73) CYP2C9CYP2C19CYP3A4TP53ACE2
SCHEMBL12295456 0.93 CYP2C9 (0.70) CYP2C9CYP2C19CYP3A4TP53ACE2
SCHEMBL17876494 0.92 CYP2C9 (0.69) CYP2C9CYP2C19CYP3A4TP53MAPT
SCHEMBL17876735 0.92 CYP2C9 (0.66) CYP2C9CYP2C19CYP3A4ACE2KMT2A
SCHEMBL2424806 0.92 CYP2C9 (0.84) CYP2C9CYP2C19CYP3A4TP53ACE2
SCHEMBL13838208 0.92 CYP2C9 (0.69) CYP2C9CYP2C19CYP3A4TP53ACE2
SCHEMBL17876584 0.91 CYP2C9 (0.86) CYP2C9CYP2C19CYP3A4TP53ALDH1A1
Hydrochloric Acid SCHEMBL14761380 0.91 CYP2C9 (0.83) CYP2C9CYP2C19CYP3A4TP53ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.