SCHEMBL2741041

SCHEMBL2741041

[C-]#[N+]c1ccc(F)cc1C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.35
ALDH1A1 P00352 2/20 0.31
HCAR1 Q9BXC0 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
ALOX5 P09917 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HDAC4 P56524 1/20 0.30
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
NISCH Q9Y2I1 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 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
SCHEMBL29953614 0.82 ACHE (0.35) ACHEALDH1A1MAPTPTGS1PTGS2
SCHEMBL8149801 0.82 ACHE (0.35) ACHEALDH1A1MAPTPTGS1PTGS2
SCHEMBL8155348 0.78 CYP1A2 (0.42) CYP1A2CYP2A6
SCHEMBL8149215 0.78 CYP1A2 (0.42) CYP1A2CYP2A6
SCHEMBL12138250 0.77 NISCH (0.33) ALDH1A1KDM4ECA3CA6CA5A
SCHEMBL12136644 0.76 ALDH1A1 (0.42) ALDH1A1KDM4ECA3CA6CA5A
SCHEMBL29839690 0.76 ALDH1A1 (0.42) ALDH1A1
SCHEMBL985929 0.76 TDP1 (0.42) ACHEALDH1A1CYP1A2CYP2A6
SCHEMBL29953631 0.76 ALDH1A1 (0.42) ALDH1A1KDM4ECA3CA6CA5A
SCHEMBL8600425 0.76 ALDH1A1 (0.42) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2024-01-18 US disclosed
US-11767312-B2 Phthalazinone compound, and preparation method therefor and medical use thereof GENENTECH, INC. (US) 2023-09-26 US disclosed
US-20230242510-A1 PHTHALAZINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO LTD (CN) 2023-08-03 US disclosed
US-20230131252-A1 PHTHALAZINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-9468635-B2 Fused ring compound for use as mineralocorticoid receptor antagonist KBP BIOSCIENCES CO., LTD. (CN) 2016-10-18 US disclosed
US-9382257-B2 Substituted pyrrolo[2,3-b]pyrazines as serine/threonine kinase inhibitors GENENTECH, INC. (US) 2016-07-05 US disclosed
US-20150218176-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-08-06 US disclosed
US-20150126501-A1 Fused Ring Compound For Use As Mineralocorticoid Receptor Antagonist NOVO NORDISK A/S (DK) 2015-05-07 US disclosed
US-8946279-B2 Fused ring compound for use as mineralocorticoid receptor antagonist KBP BIOSCIENCES CO., LTD. (CN) 2015-02-03 US disclosed
US-8642632-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2014-02-04 US disclosed
US-8629167-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2014-01-14 US disclosed
US-20130289029-A1 Fused Ring Compound For Use As Mineralocorticoid Receptor Antagonist NOVO NORDISK A/S (DK) 2013-10-31 US disclosed
US-8455525-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2013-06-04 US disclosed
US-20130116288-A1 Selective Androgen Receptor Modulators RADIUS HEALTH, INC. (US) 2013-05-09 US disclosed
US-20120004270-A1 Selective Androgen Receptor Modulators RADIUS HEALTH, INC. (US) 2012-01-05 US disclosed
US-20110224267-A1 Selective androgen receptor modulators Radius Health,Inc. (US) 2011-09-15 US disclosed
US-20100216813-A1 PYRROLIDINEANILINES SMITHKLINE BEECHAM CORPORATION 2010-08-26 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 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 (11 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-20120004270-A1 Selective Androgen Receptor Modulators AR, NR3C2, NR5A1 ACHE 4505/4885ALDH1A1 1819/4885HCAR1 419/4885
US-20130289029-A1 Fused Ring Compound For Use As Mineralocorticoid Receptor Antagonist NR3C2, REN, MC2R ACHE 4757/4885ALDH1A1 3612/4885HCAR1 450/4885
US-20100216813-A1 PYRROLIDINEANILINES PGF, ARG1, CYP19A1 ACHE 4788/4885ALDH1A1 452/4885HCAR1 1885/4885
US-20110224267-A1 Selective androgen receptor modulators AR, SHBG, GPR119 ACHE 3426/4885ALDH1A1 910/4885HCAR1 305/4885
US-20150218176-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K20 ACHE 4875/4885ALDH1A1 2724/4885HCAR1 3757/4885
US-11767312-B2 Phthalazinone compound, and preparation method therefor and medical use thereof CYP17A1, AR, NR5A1 ACHE 2983/4885ALDH1A1 490/4885HCAR1 258/4885
US-20150126501-A1 Fused Ring Compound For Use As Mineralocorticoid Receptor Antagonist NR3C2, REN, MC2R ACHE 4757/4885ALDH1A1 3612/4885HCAR1 450/4885
US-20130116288-A1 Selective Androgen Receptor Modulators AR, SHBG, IGF1R ACHE 3322/4885ALDH1A1 691/4885HCAR1 475/4885
US-20230131252-A1 PHTHALAZINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF CYP17A1, AR, NR5A1 ACHE 2983/4885ALDH1A1 490/4885HCAR1 258/4885
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF BTK, SYK, LCK ACHE 4201/4885ALDH1A1 4580/4885HCAR1 3302/4885
US-20230242510-A1 PHTHALAZINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF CYP17A1, AR, NR5A1 ACHE 2983/4885ALDH1A1 490/4885HCAR1 258/4885

“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.