SCHEMBL22231985

SCHEMBL22231985

Cc1cccc(F)c1N(C)c1cc(F)cc(N)c1C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
ACHE P22303 1/20 0.33
CD44 P16070 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
PIK3CA P42336 1/20 0.31
DHFR P00374 1/20 0.30

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
SCHEMBL31723224 1.00 HSD17B1 (0.34) HSD17B1HSD17B2ACHECD44CYP3A4
SCHEMBL29454101 1.00 HSD17B1 (0.34) HSD17B1HSD17B2ACHECD44CYP3A4
SCHEMBL22232035 0.82 CD44 (0.32) CD44CYP3A4TSHRPIK3CA
SCHEMBL31723190 0.82 CD44 (0.32) CD44CYP3A4TSHRPIK3CA
SCHEMBL29454137 0.82 CD44 (0.32) CD44CYP3A4TSHRPIK3CA
SCHEMBL28925354 0.80 HSD17B1 (0.34) HSD17B1HSD17B2ACHE
SCHEMBL22232350 0.77 ABCG2 (0.38) ACHEDHFR
SCHEMBL29454066 0.77 ABCG2 (0.38) ACHEDHFR
SCHEMBL31723221 0.77 ABCG2 (0.38) ACHEDHFR
SCHEMBL31723210 0.76 CHKA (0.37) CYP3A4DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220089523-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI INDUSTRIES LTD. (IN) 2022-03-24 US claimed
EP-3911629-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI Industries Ltd. (IN) 2021-11-24 EP claimed
WO-2020148617-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI INDUSTRIES LTD. (IN) 2020-07-23 WO claimed
US-20220089523-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI INDUSTRIES LTD. (IN) 2022-03-24 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-20220089523-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF H1-3, PRMT7, PFAS HSD17B1 4672/4885HSD17B2 4732/4885ACHE 169/4885

“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.