SCHEMBL3725884

SCHEMBL3725884

CCN(CCO)c1cccc(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ CYP3A4 P08684 4/20 0.49
▸ RECQL P46063 3/20 0.41
▸ PSMD14 O00487 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ S100B P04271 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ S1PR1 P21453 2/20 0.37

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
Sulfuric Acid SCHEMBL8754495 0.92 ALDH1A1 (0.43) ALDH1A1CYP3A4RECQLPSMD14L3MBTL1
SCHEMBL29375628 0.89 CYP3A4 (0.42) ALDH1A1CYP3A4RECQLL3MBTL1TDP1
SCHEMBL94021 0.89 CYP3A4 (0.42) ALDH1A1CYP3A4RECQLL3MBTL1TDP1
SCHEMBL16617493 0.86 CYP3A4 (0.47) ALDH1A1CYP3A4RECQLPSMD14L3MBTL1
SCHEMBL29931735 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4RECQLPSMD14L3MBTL1
SCHEMBL1413227 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4RECQLPSMD14L3MBTL1
Hydrochloric Acid SCHEMBL6946148 0.83 CYP3A4 (0.57) ALDH1A1CYP3A4RECQLPSMD14L3MBTL1
SCHEMBL16618153 0.83 CYP3A4 (0.44) ALDH1A1CYP3A4RECQLPSMD14L3MBTL1
SCHEMBL11067328 0.82 ALDH1A1 (0.60) ALDH1A1CYP3A4RECQLPSMD14L3MBTL1
SCHEMBL16617376 0.81 TSHR (0.45) ALDH1A1CYP3A4RECQLPSMD14L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 — — EP disclosed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 — — US disclosed
CN-102459264-A Pyrimidine inhibitors of kinase activity ABBOTT LAB 2012-05-16 — — CN disclosed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 — — WO disclosed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 — — US disclosed
WO-2005058869-A1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 — — WO disclosed
US-6623914-B2 Purifying p-phenylenediamine-type color developers in their free-base form by short path distillation including one of a falling film evaporator, a thin film evaporator, a wiped film evaporator, or a short-path evaporator EASTMAN CHEMICAL COMPANY 2003-09-23 — — US disclosed
US-20030022114-A1 Method for preparing an acid salt of p-phenylenediamine-type photographic color developers BOLDEA LUCIAN (US) 2003-01-30 — — US disclosed
US-6464734-B1 USED FOR DYEING OR PRINTING HYDROXYL AND/OR CARBOXAMIDO CONTAINING MATERIALS SUCH AS POLYVINYL ALCOHOL, POLYURETHANES AND POLYAMIDES; WASHFASTNESS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-10-15 — — US disclosed
EP-1134260-A1 Deep black dye mixtures of fiber-reactive azo dyes DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2001-09-19 — — EP 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-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity IGF1R, CDK2, TK1 ALDH1A1 1481/4885CYP3A4 3650/4885RECQL 164/4885

“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.

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