SCHEMBL16614994

SCHEMBL16614994

CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)[C@H](O)c4ccccc4Cl)[C@@H](C)C3)nc12

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.72
GHSR Q92847 6/20 0.39
SMYD3 Q9H7B4 1/20 0.37
SCD5 Q86SK9 1/20 0.34
SMO Q99835 1/20 0.34
P2RX7 Q99572 1/20 0.34
KRAS P01116 1/20 0.34
ROCK2 O75116 1/20 0.34
CYP3A4 P08684 1/20 0.34
RET P07949 1/20 0.34

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
SCHEMBL16614992 0.91 F2RL1 (0.76) F2RL1GHSRSMYD3SMO
SCHEMBL16614942 0.91 F2RL1 (0.76) F2RL1GHSRSMYD3SMO
SCHEMBL16615051 0.90 F2RL1 (0.78) F2RL1GHSRSMORET
SCHEMBL16614971 0.89 F2RL1 (0.81) F2RL1GHSRSMO
SCHEMBL16614931 0.87 F2RL1 (0.79) F2RL1GHSRSMO
SCHEMBL16615045 0.87 F2RL1 (0.79) F2RL1GHSRSMO
SCHEMBL16615046 0.87 F2RL1 (0.79) F2RL1GHSRSMO
SCHEMBL16614970 0.86 F2RL1 (0.80) F2RL1GHSRSMYD3SMO
SCHEMBL16598409 0.86 F2RL1 (0.77) F2RL1GHSRSMO
SCHEMBL16598354 0.86 F2RL1 (0.77) F2RL1GHSRSMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119282-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2019-04-25 US disclosed
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-24 US disclosed
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-24 US disclosed
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2016-10-27 US disclosed
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2016-10-27 US disclosed
WO-2015048245-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-02 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 (3 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-20190119282-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885GHSR 1959/4885SMYD3 4625/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885GHSR 1959/4885SMYD3 4625/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885GHSR 1959/4885SMYD3 4625/4885

“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.