SCHEMBL4095040

SCHEMBL4095040

CNc1cc(C)cc(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 11/20 0.42
ALDH1A1 P00352 2/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
ACHE P22303 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL18897494 0.86 NOS3 (0.39) RAPGEF4ALDH1A1NOS3NOS2ACHE
SCHEMBL18541832 0.81 RAPGEF4 (0.50) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL1551822 0.80 RAPGEF4 (0.59) RAPGEF4ALDH1A1KDM4ECA1CA2
SCHEMBL28951 0.80 RAPGEF4 (0.59) RAPGEF4ALDH1A1KDM4ECA1CA2
SCHEMBL27949139 0.77 RAPGEF4 (0.41) RAPGEF4ALDH1A1KDM4ECA1CA2
SCHEMBL5180888 0.76 RAPGEF4 (0.56) RAPGEF4ALDH1A1KDM4ECA1CA2
SCHEMBL28482658 0.76 RAPGEF4 (0.56) RAPGEF4ALDH1A1KDM4ECA1CA2
SCHEMBL10412763 0.76 RAPGEF4 (0.56) RAPGEF4ALDH1A1KDM4ECA1CA2
SCHEMBL4089566 0.76 CYP1A2 (0.32) CYP1A2CYP2C19
SCHEMBL16358719 0.75 ALDH1A1 (0.48) RAPGEF4ALDH1A1F2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151604-A2 SYNERGISTS FOR DIMERIC PIGMENTS CABOT CORPORATION (US) 2024-07-18 WO disclosed
EP-3792270-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2021-03-17 EP disclosed
CN-103732632-B Method for producing olefin block polymer using Group 4 transition metal complex 住友化学株式会社 2017-07-07 CN disclosed
CN-103958548-A Method for producing olefin block polymer using plurality of types of transition metal catalysts SUMITOMO CHEMICAL CO 2014-07-30 CN disclosed
US-20140187781-A1 AMINOPYRIDINES AND AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-03 US disclosed
CN-101878236-B Ethylene-alpha-olefin copolymer and molded body SUMITOMO CHEMICAL CO 2014-05-07 CN disclosed
CN-103732632-A Method for producing olefin block polymer using group 4 transition metal complex SUMITOMO CHEMICAL CO 2014-04-16 CN disclosed
US-8426425-B2 Aminopyrimidines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 US disclosed
US-8372850-B2 Aminopyridines and aminopyrimidines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20100022507-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-28 US disclosed
US-20100022502-A1 AMINOPYRIDINES AND AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-28 US disclosed
WO-2009104785-A1 CATALYST COMPONENT FOR POLYMERIZATION OF ETHYLENE AND PROCESS FOR PRODUCING ETHYLENE POLYMER (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-27 WO disclosed
EP-0640080-B1 SUBSTITUTED INDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX INC (US) 1997-10-22 EP disclosed
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 US disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 WO 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 (3 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-20100022502-A1 AMINOPYRIDINES AND AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K5, MAP4K5, MAP4K2 RAPGEF4 772/4885ALDH1A1 3401/4885NOS3 2150/4885
US-20100022507-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K5, MAP3K20, PRKDC RAPGEF4 1312/4885ALDH1A1 3071/4885NOS3 3523/4885
US-20140187781-A1 AMINOPYRIDINES AND AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K5, MAP4K5, MAP4K2 RAPGEF4 772/4885ALDH1A1 3401/4885NOS3 2150/4885

“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.