SCHEMBL12362503

SCHEMBL12362503

CCc1nc2c(C)cc(-c3ccccc3)cc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ ABCC3 O15438 1/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ GLRA1 P23415 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ AGTR1 P30556 1/20 0.38

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
SCHEMBL12362496 0.89 PPARG (0.45) KDM4EABCC3ABCC4USP2ABCB11
SCHEMBL12362530 0.87 DHODH (0.40) KDM4EABCC3ABCC4USP2ABCB11
SCHEMBL12362537 0.85 DHODH (0.41) KDM4EABCC3ABCC4USP2ABCB11
SCHEMBL12362516 0.81 ALDH1A1 (0.45) KDM4EALDH1A1CYP3A4ADORA3CYP2C9
SCHEMBL12362545 0.80 HDAC6 (0.46) KDM4EABCC3ABCC4USP2ABCB11
SCHEMBL11923693 0.78 RORC (0.41) KDM4EALDH1A1PPARGHSD17B10
SCHEMBL12382612 0.78 HDAC6 (0.43) KDM4EABCC3ABCC4USP2ABCB11
SCHEMBL15308149 0.78 PDE5A (0.46) KDM4EABCC3ABCC4USP2ABCB11
SCHEMBL15910605 0.75 KDM4E (0.37) KDM4EALDH1A1PPARG
SCHEMBL12362562 0.75 PPARG (0.41) KDM4EABCC3ABCC4USP2ABCB11

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
EP-3081213-B1 TRICYCLIC COMPOUND KYOWA KIRIN CO LTD (JP) 2020-04-01 — — EP disclosed
US-9475805-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-10-25 — — US disclosed
US-9475805-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-10-25 — — US disclosed
US-20150291587-A1 TRICYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-15 — — US disclosed
US-20150291587-A1 TRICYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-15 — — US disclosed
US-20130267711-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2013-10-10 — — US disclosed
US-20130267711-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2013-10-10 — — US disclosed
US-8486980-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-07-16 — — US disclosed
US-8486980-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-07-16 — — US disclosed
US-20110201640-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-18 — — US disclosed
US-20110201640-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-18 — — US disclosed
EP-2327690-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 — — EP 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 (3 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-20150291587-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD KDM4E 2084/4885ABCC3 1552/4885ABCC4 1258/4885
US-20130267711-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD KDM4E 2084/4885ABCC3 1552/4885ABCC4 1258/4885
US-20110201640-A1 TRICYCLIC COMPOUND PPARG, PPARA, PPARD KDM4E 1708/4885ABCC3 1618/4885ABCC4 1178/4885

“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.

Send feedback