SCHEMBL8817437

SCHEMBL8817437

Cc1cc(C2CC2)ncn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.42
CYP17A1 P05093 2/20 0.35
CHRM4 P08173 1/20 0.34
EGLN2 Q96KS0 1/20 0.32
RET P07949 1/20 0.31
CD274 Q9NZQ7 1/20 0.30
UHRF1 Q96T88 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL17168948 0.91 KMO (0.47) KMOCYP17A1CHRM4CD274L3MBTL1
SCHEMBL23875068 0.86 HRH4 (0.42) KMOCHRM4
SCHEMBL6267576 0.84 CDC7 (0.37) KMOCYP17A1
Aniline SCHEMBL27349687 0.84 ADORA2A (0.38) KMOCYP17A1RET
SCHEMBL15898502 0.83 KMO (0.38) KMOCYP17A1
SCHEMBL16441792 0.83 KMO (0.48) KMOCYP17A1EGLN2RETL3MBTL1
SCHEMBL1661899 0.73 KMO (0.46) KMOCYP17A1EGLN2L3MBTL1
SCHEMBL6119719 0.73 KMO (0.42) KMOCYP17A1RET
SCHEMBL15446373 0.73 KMO (0.42) KMOCYP17A1EGLN2L3MBTL1
SCHEMBL29878478 0.73 KMO (0.46) KMOCYP17A1EGLN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547336-A1 USP1 INHIBITORS AND USES THEREOF Zentaur Therapeutics USA Inc. (US) 2025-05-07 EP disclosed
CN-119836421-A USP1 inhibitors and uses thereof 森韬医药美国公司 2025-04-15 CN disclosed
US-20240092779-A1 USP1 INHIBITORS AND USES THEREOF ZENTAUR THERAPEUTICS USA INC. 2024-03-21 US disclosed
WO-2024006879-A1 USP1 INHIBITORS AND USES THEREOF ZENTAUR THERAPEUTICS USA INC. (US) 2024-01-04 WO disclosed
EP-3418280-B1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
US-11358967-B2 Substituted pyrazino[2,3-b]pyrazines and pyrazino[2,3-c]pyridazines as modulators of ROR gamma BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-06-14 US disclosed
US-20210171527-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-06-10 US disclosed
EP-3405470-B1 PYRAZINEDIHYDROPYRIMIDINONE OR PYRIDAZINEDIHYDROPYRIMIDINONE COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2020-07-15 EP disclosed
US-10450314-B2 Pteridine derivatives as modulators of ROR gamma BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-22 US disclosed
EP-3356366-B1 PTERIDINE DERIVATIVES AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2019-08-28 EP disclosed
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 US disclosed
WO-2012066061-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDINES AND THEIR USE AS TYK2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-24 WO disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 WO disclosed
CN-1024489-C Method for controlling harmful insects and microorganisms on plants CIBA GEIGY AG (CH) 1994-05-18 CN disclosed
CN-1064270-A Harmful insect and method of microorganism on the controlling plant CIBA GEIGY AG (CH) 1992-09-09 CN disclosed
CN-1064191-A The composition of control or prevention harmful insect or microorganism encroach CIBA GEIGY AG (CH) 1992-09-09 CN disclosed
CN-1017993-B Process for preparing anilinopyrimidine derivatives CIBA GEIGY AG (CH) 1992-08-26 CN disclosed
CN-1032441-A Pesticide CIBA GEIGY AG (CH) 1989-04-19 CN 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 (6 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 KMO 610/4885CYP17A1 3295/4885CHRM4 636/4885
US-20210171527-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORC, RORB, RORA KMO 2786/4885CYP17A1 27/4885CHRM4 1394/4885
US-20240092779-A1 USP1 INHIBITORS AND USES THEREOF USP1, USP28, USP2 KMO 2823/4885CYP17A1 1682/4885CHRM4 4808/4885
US-10450314-B2 Pteridine derivatives as modulators of ROR gamma RORB, RORC, RORA KMO 779/4885CYP17A1 36/4885CHRM4 2110/4885
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK KMO 1106/4885CYP17A1 1253/4885CHRM4 4721/4885
US-11358967-B2 Substituted pyrazino[2,3-b]pyrazines and pyrazino[2,3-c]pyridazines as modulators of ROR gamma RORC, RORB, RORA KMO 990/4885CYP17A1 68/4885CHRM4 1566/4885

“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.