SCHEMBL4529205

SCHEMBL4529205

Cc1cc(-c2ccncc2)ccc1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.71
ALDH1A1 P00352 2/20 0.71
TSHR P16473 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
AAK1 Q2M2I8 2/20 0.58
CYP17A1 P05093 2/20 0.50
CYP19A1 P11511 2/20 0.50
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
QDPR P09417 1/20 0.45
PDPK1 O15530 2/20 0.44
JAK2 O60674 1/20 0.44
AURKB Q96GD4 3/20 0.43
INCENP Q9NQS7 3/20 0.43
AURKA O14965 2/20 0.43
TTK P33981 2/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43

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
SCHEMBL8954009 0.87 CYP3A4 (0.94) CYP3A4ALDH1A1TSHRTDP1MAPT
Orthotolidine SCHEMBL49414 0.84 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRTDP1MAPT
Orthotolidine SCHEMBL29386552 0.84 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRTDP1MAPT
Orthotolidine SCHEMBL29365329 0.84 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRTDP1MAPT
SCHEMBL3342706 0.83 NTRK1 (0.55) CYP3A4ALDH1A1TSHRTDP1AAK1
Orthotolidine SCHEMBL11189493 0.82 CYP3A4 (0.94) CYP3A4ALDH1A1TSHRTDP1MAPT
Orthotolidine SCHEMBL22129692 0.82 CYP3A4 (0.94) CYP3A4ALDH1A1TSHRTDP1MAPT
Orthotolidine SCHEMBL20547383 0.82 CYP3A4 (0.94) CYP3A4ALDH1A1TSHRTDP1MAPT
Orthotolidine SCHEMBL2812115 0.82 CYP3A4 (0.94) CYP3A4ALDH1A1TSHRTDP1MAPT
Orthotolidine SCHEMBL38664709 0.82 CYP3A4 (0.94) CYP3A4ALDH1A1TSHRTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230225188-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-13 US disclosed
US-20230225188-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-13 US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
CN-100355751-C 2-substd. 4-heteroaryl-pyrimidines and their use in treatment of proliferative disorders CYCLACEL LTD (GB) 2007-12-19 CN disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 WO disclosed
US-4506075-A PYRIDINE, BENZOYL CHLORIDE, 3-METHYL-N,N-DIALKYLBENZENEAMINE, COPPER STERLING DRUG INC. (US) 1985-03-19 US disclosed
US-4415578-A INOTROPIC AGENTS STERLING DRUG INC. (US) 1983-11-15 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 (2 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-20230225188-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE GPX1, CRY1, LAGE3 CYP3A4 330/4885ALDH1A1 11/4885TSHR 3910/4885
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA CYP3A4 4098/4885ALDH1A1 3985/4885TSHR 2514/4885

“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.