Sugi Predict

Sugi Predict / Compounds / SCHEMBL751586

SCHEMBL751586

SCHEMBL751586

O=C(Nc1cc[c]cc1)Nc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.74
▸ TP53 P04637 1/20 0.74
▸ EPHX1 P07099 1/20 0.74
▸ TSHR P16473 1/20 0.74
▸ EPHX2 P34913 1/20 0.74
▸ CDK9 P50750 1/20 0.74
▸ CLK4 Q9HAZ1 1/20 0.74
▸ CASP3 P42574 1/20 0.63
▸ SENP7 Q9BQF6 1/20 0.63
▸ MAOA P21397 2/20 0.61
▸ MAOB P27338 2/20 0.61
▸ RAB9A P51151 7/20 0.59
▸ KMT2A Q03164 7/20 0.59
▸ NPC1 O15118 6/20 0.59
▸ TAAR1 Q96RJ0 3/20 0.59
▸ SIRT1 Q96EB6 1/20 0.57
▸ MEN1 O00255 5/20 0.55
▸ MAPT P10636 4/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ LMNA P02545 2/20 0.53

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
SCHEMBL6793722 0.88 SMN1; SMN2 (0.63) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL133103 0.86 SMN1; SMN2 (1.00) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL11059378 0.84 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL29392345 0.84 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL30786615 0.84 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL28431956 0.84 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL3037927 0.84 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL2518709 0.82 SMN1; SMN2 (0.65) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL14324708 0.80 RAB9A (0.67) TSHREPHX2CASP3SENP7RAB9A
SCHEMBL20535362 0.80 SMN1; SMN2 (0.47) SMN1; SMN2TP53EPHX1TSHREPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 — — EP claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 — — US claimed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 — — EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 — — WO claimed
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-09-09 — — US claimed
CN-101801963-A Trisubstituted pyrimidine derivatives for the treatment of proliferative diseases ASTRAZENECA AB 2010-08-11 — — CN claimed
EP-2176256-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2010-04-21 — — EP claimed
WO-2009007751-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 — — WO claimed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 — — US claimed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 — — US claimed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 — — US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 — — US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 — — EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 — — US claimed
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-14 — — US claimed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 — — US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 — — EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 — — WO claimed
US-11697707-B2 Chemical sensors based on carbon nanotubes functionalised by conjugated polymers for analysis in aqueous medium ECOLE POLYTECHNIQUE (FR) 2023-07-11 — — US disclosed
EP-0237695-A2 1,4-Dihydropyridines MERCK PATENT GmbH (DE) 1987-09-23 — — 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 (5 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-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments MTTP, CETP, FABP1 SMN1; SMN2 4752/4885TP53 4688/4885EPHX1 1716/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM SMN1; SMN2 3410/4885TP53 3223/4885EPHX1 445/4885
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD SMN1; SMN2 3999/4885TP53 558/4885EPHX1 4243/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM SMN1; SMN2 3410/4885TP53 3223/4885EPHX1 445/4885
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES MTOR, PIK3CA, PIK3CD SMN1; SMN2 2692/4885TP53 38/4885EPHX1 3022/4885

“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.