SCHEMBL20150103

SCHEMBL20150103

COc1c(-c2ccncn2)cccc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
CCNA1 P78396 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
TYK2 P29597 1/20 0.38
ROCK1 Q13464 2/20 0.37
CYP2D6 P10635 2/20 0.37
ROCK2 O75116 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
PRKCG P05129 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL20150104 0.82 SMN1; SMN2 (0.45) ALOX15TSHRTYK2CYP2D6CYP3A4
SCHEMBL20150109 0.80 TSHR (0.38) ALOX15TSHRCYP3A4CYP2C9EGFR
SCHEMBL17194883 0.80 CCNT1 (0.43) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL27534760 0.80 CCNT1 (0.49) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL20150110 0.79 ALOX5AP (0.34) ALOX15TSHRCYP3A4CYP2C9
SCHEMBL20150112 0.79 TYK2 (0.39) ALOX15TSHRTYK2CYP2D6CYP2C9
SCHEMBL17198826 0.77 CCNT1 (0.40) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL18415025 0.77 CCNT1 (0.40) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL20150120 0.76 TSHR (0.39) ALOX15TSHRTYK2CYP3A4CYP2C9
SCHEMBL20150111 0.75 TSHR (0.32) ALOX15TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495358-B1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2022-04-27 EP disclosed
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-10 US disclosed
US-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-01 US disclosed
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2020-03-05 US disclosed
EP-3495358-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES Bristol-Myers Squibb Company (US) 2019-06-12 EP disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses IFNG, IFNAR1, TYK2 CCNT1 2179/4885CCNA2 1143/4885CDK2 360/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CCNT1 3794/4885CCNA2 3267/4885CDK2 342/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CCNT1 3794/4885CCNA2 3267/4885CDK2 342/4885
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CCNT1 3794/4885CCNA2 3267/4885CDK2 342/4885
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 CCNT1 2179/4885CCNA2 1143/4885CDK2 360/4885

“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.