SCHEMBL17168772

SCHEMBL17168772

CC(C)n1c(=O)c(Cl)nc2cnc(Cl)nc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 1/20 0.34
▸ MTOR P42345 1/20 0.32
▸ PIK3CA P42336 2/20 0.31
▸ CYP1A2 P05177 5/20 0.31
▸ ALDH1A1 P00352 4/20 0.31
▸ CASP1 P29466 3/20 0.31
▸ HSD17B10 Q99714 3/20 0.31
▸ CASP7 P55210 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ USP2 O75604 2/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HPGD P15428 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ RORC P51449 2/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HSP90AA1 P07900 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
SCHEMBL24455409 0.83 RORC (0.36) RORC
SCHEMBL22190717 0.79 CYP1A2 (0.39) CYP1A2ALDH1A1CASP1HSD17B10CASP7
SCHEMBL20740567 0.79 CDK5 (0.42) MTORPIK3CAALDH1A1SMN1; SMN2
SCHEMBL17168775 0.73 TYRO3 (0.41) ADORA2BMTORALDH1A1MEN1KMT2A
SCHEMBL17168761 0.72 RORC (0.34) RORC
SCHEMBL17168858 0.70 RORC (0.59) RORC
SCHEMBL4825502 0.70 CDK4 (0.57) —
SCHEMBL21090442 0.69 RORC (0.44) RORC
SCHEMBL17168862 0.69 RORC (0.60) RORCNPC1MAPT
SCHEMBL1782345 0.69 USP1 (0.43) MTORMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3418280-B1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2023-07-12 — — EP disclosed
EP-3131902-B1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2019-06-12 — — EP disclosed
US-20180022749-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2018-01-25 — — US disclosed
US-20180022749-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2018-01-25 — — US disclosed
US-9598415-B2 Compounds as modulators of RORγ BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-21 — — US disclosed
US-9598415-B2 Compounds as modulators of RORγ BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-21 — — US disclosed
US-20170008894-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2017-01-12 — — US disclosed
US-20170008894-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2017-01-12 — — US disclosed
US-20160075706-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2016-03-17 — — US disclosed
US-9242989-B2 Compounds as modulators of RORγ BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 — — US disclosed
US-9242989-B2 Compounds as modulators of RORγ BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 — — US disclosed
WO-2015160654-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-22 — — WO disclosed
US-20150291607-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-15 — — US disclosed
US-20150291607-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-15 — — 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 (4 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-20180022749-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORB, RORC, RORA ADORA2B 1701/4885MTOR 1966/4885PIK3CA 2141/4885
US-20170008894-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORB, RORC, RORA ADORA2B 1701/4885MTOR 1966/4885PIK3CA 2141/4885
US-20150291607-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORB, RORC, RORA ADORA2B 1701/4885MTOR 1966/4885PIK3CA 2141/4885
US-20160075706-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORB, RORC, RORA ADORA2B 1701/4885MTOR 1966/4885PIK3CA 2141/4885

“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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