Sugi Predict

Sugi Predict / Compounds / SCHEMBL2934547

SCHEMBL2934547

SCHEMBL2934547

Cc1c(N)ccc(N)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.53
▸ TSHR P16473 4/20 0.53
▸ PIK3CA P42336 1/20 0.53
▸ TDP1 Q9NUW8 5/20 0.48
▸ TP53 P04637 2/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ CD44 P16070 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.42
▸ POLB P06746 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.36
▸ CA1 P00915 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CASP1 P29466 1/20 0.33

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
SCHEMBL33944 0.82 CYP3A4 (0.62) CYP3A4TSHRPIK3CATDP1TP53
SCHEMBL23668109 0.81 POLB (0.62) CYP3A4TSHRPIK3CATDP1TP53
SCHEMBL43624 0.81 POLB (0.62) CYP3A4TSHRPIK3CATDP1TP53
SCHEMBL34364 0.81 POLB (0.48) CYP3A4TSHRPIK3CATDP1TP53
SCHEMBL9285276 0.81 POLB (0.62) CYP3A4TSHRPIK3CATDP1TP53
Hydrochloric Acid SCHEMBL10761313 0.79 POLB (0.46) CYP3A4TSHRPIK3CATDP1TP53
Hydrochloric Acid SCHEMBL3105189 0.79 POLB (0.59) CYP3A4TSHRPIK3CATDP1TP53
Ammonia Solution, Strong SCHEMBL18426057 0.79 POLB (0.59) CYP3A4TSHRPIK3CATDP1TP53
Hydrochloric Acid SCHEMBL4608951 0.79 POLB (0.59) CYP3A4TSHRPIK3CATDP1TP53
Methane SCHEMBL701905 0.79 POLB (0.46) CYP3A4TSHRPIK3CATDP1TP53

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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105175396-B 4 methoxyl group N of substitution3The diamine compound of (base of pyrimidine 2) benzene 1,3 and its salt 阿斯利康(瑞典)有限公司 2018-01-16 — — CN claimed
CN-105175396-A Substituted 4-methoxy-N3-(pyrimidin-2-yl) benzene-1, 3-diamine compounds and salts thereof ASTRAZENECA AB 2015-12-23 — — CN claimed
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 — — EP claimed
CN-100549003-C 3-aminophenol derivatives and keratin fibre colorants comprising these compounds P & G CLAIROL INC (US) 2009-10-14 — — CN claimed
CN-100358887-C m-aminophenol derivatives and dyes containing these compounds P & G CLAIROL INC (US) 2008-01-02 — — CN claimed
EP-1495015-B1 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS WELLA AG (DE) 2006-04-12 — — EP claimed
EP-1418879-B1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES WELLA AG (DE) 2006-04-12 — — EP claimed
CN-1646518-A 3-aminophenol derivatives and keratin fibre colorants comprising these compounds P & G CLAIROL INC (US) 2005-07-27 — — CN claimed
CN-1646478-A 3-aminophenol derivatives substituted in the 2-position and colorants comprising the same P & G CLAIROL INC (US) 2005-07-27 — — CN claimed
CN-1551875-A m-aminophenol derivatives and dyes containing these compounds P&G 2004-12-01 — — CN claimed
CN-1529691-A N-benzyl-m-phenylenediamine derivatives and colorants containing these compounds P&G 2004-09-15 — — CN claimed
CN-118159533-A Heterocyclic compounds and their use 艾森医药有限公司 2024-06-07 — — CN disclosed
WO-2024058617-A1 ANTIVIRAL USE OF HETEROARYL DERIVATIVE COMPOUND 일동제약(주) 2024-03-21 — — WO disclosed
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 — — WO disclosed
CN-115867539-A 2, 3-dihydro-1H-pyrrolo [3,2-b ] pyridine derivatives, preparation method and application thereof 上海和誉生物医药科技有限公司 2023-03-28 — — CN disclosed
EP-1401831-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2004-03-31 — — EP disclosed
US-20030207883-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2003-11-06 — — US disclosed
US-20030177592-A1 Dye compositions containing quinolinium salts HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-25 — — US disclosed
WO-2003004488-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-01-16 — — WO disclosed
US-6461390-B1 Process for making 2-aminomethyl-1, 4-diaminobenzene and its salts and compositions and methods for dyeing keratin fibers using same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 — — 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-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 CYP3A4 18/4885TSHR 3919/4885PIK3CA 907/4885

“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.