SCHEMBL16429040

SCHEMBL16429040

Oc1ccc(C(F)(F)F)cc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.56
PTGDR2 Q9Y5Y4 2/20 0.53
KIF11 P52732 1/20 0.52
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
BCL2L1 Q07817 1/20 0.48
CNR2 P34972 1/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
PELI1 Q96FA3 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
METAP2 P50579 1/20 0.44
ALOX5 P09917 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9809559 0.86 ALOX5 (0.55) BACE1PTGDR2KIF11ALDH1A1HSD17B10
SCHEMBL3680346 0.85 BACE1 (0.52) BACE1PTGDR2KIF11ALDH1A1HSD17B10
SCHEMBL27541697 0.85 KIF11 (0.61) KIF11ALDH1A1HSD17B10HPGDPOLB
SCHEMBL17141676 0.83 NTRK1 (0.45) PTGDR2KIF11ALDH1A1HSD17B10POLB
SCHEMBL1765579 0.82 HSD17B10 (0.49) PTGDR2ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL30023096 0.82 KIF11 (0.58) BACE1PTGDR2KIF11ALDH1A1HPGD
SCHEMBL27781322 0.82 KIF11 (0.58) BACE1PTGDR2KIF11ALDH1A1HPGD
SCHEMBL5990646 0.81 KIF11 (0.57) KIF11ALDH1A1HSD17B10POLBKDM4E
SCHEMBL28757710 0.81 ALOX5 (0.51) KIF11ALDH1A1HSD17B10POLBKDM4E
SCHEMBL5990332 0.81 CYP11B1 (0.51) KIF11CNR2

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
US-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2020-10-13 US disclosed
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2017-10-19 US disclosed
US-9586963-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2017-03-07 US disclosed
CN-102770430-B Cyclic amine compound and miticide NIPPON SODA CO 2015-05-06 CN disclosed
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2015-02-05 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 (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-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists NR1D1, NR1D2, PER2 BACE1 2625/4885PTGDR2 740/4885KIF11 4382/4885
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 BACE1 2625/4885PTGDR2 740/4885KIF11 4382/4885
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 BACE1 2625/4885PTGDR2 740/4885KIF11 4382/4885

“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.