SCHEMBL12362545

SCHEMBL12362545

CC(=O)CCc1nc2c(C)cc(-c3ccccc3)cc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.46
▸ PDE5A O76074 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ PPARG P37231 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ABCC3 O15438 1/20 0.40
▸ ABCC4 O15439 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ GLRA1 P23415 1/20 0.40
▸ PDE4A P27815 1/20 0.40

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
SCHEMBL12382612 0.87 HDAC6 (0.43) HDAC6ALDH1A1PPARGKDM4EABCC3
SCHEMBL15308149 0.87 PDE5A (0.46) HDAC6PDE5AALDH1A1PPARGKDM4E
SCHEMBL12362537 0.85 DHODH (0.41) HDAC6ALDH1A1PPARGKDM4EABCC3
SCHEMBL12362550 0.83 NR4A2 (0.46) HDAC6ALDH1A1PPARGKDM4EABCC3
SCHEMBL12362496 0.83 PPARG (0.45) ALDH1A1PPARGKDM4EABCC3ABCC4
SCHEMBL12362530 0.82 DHODH (0.40) HDAC6ALDH1A1PPARGKDM4EABCC3
SCHEMBL12362503 0.80 KDM4E (0.38) PDE5AALDH1A1PPARGKDM4EABCC3
SCHEMBL12362516 0.74 ALDH1A1 (0.45) HDAC6PDE5AALDH1A1KDM4ECYP3A4
SCHEMBL7043121 0.72 AGTR1 (0.49) ALDH1A1PPARGKDM4EABCC3ABCC4
SCHEMBL6448038 0.71 AGTR1 (0.50) ALDH1A1PPARGKDM4EABCC3ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20110201640-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-18 — — 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 (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 HDAC6 231/4885PDE5A 1341/4885ALDH1A1 1801/4885
US-20130267711-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD HDAC6 231/4885PDE5A 1341/4885ALDH1A1 1801/4885
US-20110201640-A1 TRICYCLIC COMPOUND PPARG, PPARA, PPARD HDAC6 149/4885PDE5A 2076/4885ALDH1A1 2211/4885

“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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