SCHEMBL16543726

SCHEMBL16543726

Cc1cnc(Cl)nc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.36
▸ KMT2A Q03164 1/20 0.33
▸ RPS6KA5 O75582 1/20 0.33
▸ CHRM4 P08173 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ CNR2 P34972 1/20 0.30
▸ AXL P30530 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
SCHEMBL20555492 0.79 KMT2A (0.35) PDE10AKMT2ARPS6KA5KDM4E
SCHEMBL2015390 0.76 KMT2A (0.47) KMT2ARPS6KA5SMN1; SMN2ALDH1A1
SCHEMBL16566107 0.76 ABL1 (0.36) KMT2ARPS6KA5
SCHEMBL18031198 0.76 HRH2 (0.41) —
SCHEMBL14672723 0.76 CYP3A4 (0.33) —
SCHEMBL14672722 0.76 CYP3A4 (0.33) —
SCHEMBL25283172 0.76 ALDH1A1 (0.46) PDE10AKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL25778753 0.73 CYP1A2 (0.39) PDE10AKMT2AALDH1A1
SCHEMBL20555325 0.72 KMT2A (0.37) KMT2ARPS6KA5AXL
SCHEMBL21158071 0.72 CSNK1A1 (0.37) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103864770-B Aminopyrimidine and pyridyl amine inhibitor as Hedgehog signal transduction 江苏先声药业有限公司 2019-06-11 — — CN disclosed
US-20180133220-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS VITAE PHARMACEUTICALS, LLC 2018-05-17 — — US disclosed
US-20180117041-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, INC. 2018-05-03 — — US disclosed
US-20170231992-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS VITAE PHARMACEUTICALS, INC. 2017-08-17 — — US disclosed
US-9707232-B2 Liver X receptor modulators VITAE PHARMACEUTICALS, INC. (US) 2017-07-18 — — US disclosed
US-20170007603-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, LLC 2017-01-12 — — US disclosed
US-9416135-B2 Liver X receptor modulators VITAE PHARMACEUTICALS, INC. (US) 2016-08-16 — — US disclosed
US-20160113930-A1 COMPOUNDS FOR USE IN TREATING RETT SYNDROME VITAE PHARMACEUTICALS, INC. 2016-04-28 — — US disclosed
US-20150336963-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, LLC 2015-11-26 — — US disclosed
US-20150250787-A1 COMPOUNDS FOR USE IN TREATING SKIN CANCERS VITAE PHARMACEUTICALS, INC. 2015-09-10 — — US disclosed
US-9073931-B2 Liver X receptor modulators VITAE PHARMACEUTICALS, INC. (US) 2015-07-07 — — US disclosed
US-20150065515-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, LLC 2015-03-05 — — 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 (8 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-20180117041-A1 LIVER X RECEPTOR MODULATORS SLC10A1, NR1H4, NR1H2 PDE10A 1443/4885KMT2A 3622/4885RPS6KA5 2253/4885
US-20150336963-A1 LIVER X RECEPTOR MODULATORS SLC10A1, NR1H4, NR1H2 PDE10A 1443/4885KMT2A 3622/4885RPS6KA5 2253/4885
US-20170231992-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS TNNI3, FABP3, TNNT2 PDE10A 156/4885KMT2A 4716/4885RPS6KA5 1893/4885
US-20150065515-A1 LIVER X RECEPTOR MODULATORS SLC10A1, NR1H4, NR1H2 PDE10A 1443/4885KMT2A 3622/4885RPS6KA5 2253/4885
US-20160113930-A1 COMPOUNDS FOR USE IN TREATING RETT SYNDROME RET, RARS2, RARS1 PDE10A 70/4885KMT2A 515/4885RPS6KA5 2444/4885
US-20150250787-A1 COMPOUNDS FOR USE IN TREATING SKIN CANCERS TP53, KRT18, VHL PDE10A 3665/4885KMT2A 2452/4885RPS6KA5 1974/4885
US-20180133220-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS TNNI3, FABP3, TNNT2 PDE10A 156/4885KMT2A 4716/4885RPS6KA5 1893/4885
US-20170007603-A1 LIVER X RECEPTOR MODULATORS SLC10A1, NR1H4, NR1H2 PDE10A 1443/4885KMT2A 3622/4885RPS6KA5 2253/4885

“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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