SCHEMBL17168786

SCHEMBL17168786

CC1(Nc2nc(Cl)ncc2N)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LATS1 O95835 13/20 0.36
▸ LATS2 Q9NRM7 6/20 0.36
▸ CHRM4 P08173 2/20 0.36
▸ NLRP3 Q96P20 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL21593630 0.87 KMT2A (0.33) LATS1LATS2KMT2A
SCHEMBL2265828 0.74 XDH (0.41) KMT2ACSNK1A1CLK4ALDH1A1L3MBTL1
SCHEMBL21090137 0.74 LATS1 (0.33) LATS1LATS2CHRM4
SCHEMBL20980139 0.74 KMT2A (0.35) KMT2AALDH1A1L3MBTL1
SCHEMBL31465483 0.74 GSK3A (0.32) —
SCHEMBL17168791 0.74 PIN1 (0.53) KMT2AL3MBTL1
SCHEMBL1496403 0.74 TDP1 (0.39) KMT2ACSNK1A1CLK4ALDH1A1L3MBTL1
SCHEMBL23029862 0.72 CSNK1A1 (0.38) KMT2ACSNK1A1CLK4ALDH1A1L3MBTL1
SCHEMBL24620114 0.71 PDE4A (0.39) CSNK1A1CLK4
SCHEMBL24620414 0.71 PDE4A (0.39) CSNK1A1CLK4

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 15 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-20190002465-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2019-01-03 — — US 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 (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-20180022749-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORB, RORC, RORA LATS1 4105/4885LATS2 4085/4885CHRM4 1365/4885
US-20170008894-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORB, RORC, RORA LATS1 4105/4885LATS2 4085/4885CHRM4 1365/4885
US-20150291607-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORB, RORC, RORA LATS1 4105/4885LATS2 4085/4885CHRM4 1365/4885
US-20190002465-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORB, RORC, RORA LATS1 4105/4885LATS2 4085/4885CHRM4 1365/4885
US-20160075706-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORB, RORC, RORA LATS1 4105/4885LATS2 4085/4885CHRM4 1365/4885

“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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