Sugi Predict

Sugi Predict / Compounds / SCHEMBL14217175

SCHEMBL14217175

SCHEMBL14217175

C[C@H](C1CCN(C(=O)C(C)(C)C)CC1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.42
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ MMP13 P45452 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ RIPK1 Q13546 2/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ SLC9A1 P19634 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CPN1 P15169 1/20 0.32
▸ CPB2 Q96IY4 1/20 0.32

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
SCHEMBL23691777 0.85 DPP4 (0.42) DPP4MEN1KMT2AHRH3KCNH2
SCHEMBL2603238 0.85 DPP4 (0.44) DPP4MEN1KMT2AHRH3KCNH2
SCHEMBL13223496 0.83 DPP4 (0.43) DPP4MEN1KMT2AHRH3KCNH2
SCHEMBL11989574 0.83 EPHX2 (0.42) DPP4MEN1KMT2AHRH3KCNH2
SCHEMBL14145289 0.83 EPHX2 (0.42) DPP4MEN1KMT2AHRH3KCNH2
SCHEMBL14217174 0.81 MEN1 (0.42) DPP4MEN1KMT2AHRH3KCNH2
SCHEMBL14217176 0.81 MEN1 (0.33) DPP4MEN1KMT2ARIPK1
SCHEMBL14217171 0.80 EPHX2 (0.45) ALDH1A1CPN1CPB2
SCHEMBL11989601 0.80 HRH3 (0.36) DPP4MEN1KMT2AHRH3KCNH2
SCHEMBL11989598 0.80 MEN1 (0.41) DPP4MEN1KMT2AHRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962642-B2 5-cyano-4- (pyrrolo [2,3B] pyridine-3-yl) -pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-24 — — US disclosed
US-20140045812-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-02-13 — — US disclosed
US-8530489-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 — — US disclosed
US-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 — — 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 (2 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-20140045812-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 DPP4 1089/4885MEN1 3294/4885KMT2A 2258/4885
US-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 DPP4 1089/4885MEN1 3294/4885KMT2A 2258/4885

“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.