SCHEMBL3402167

SCHEMBL3402167

Nc1ccnc(CN2CCC(O)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.47
▸ SYK P43405 4/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ LTA4H P09960 6/20 0.38
▸ ACVRL1 P37023 1/20 0.38
▸ CCR5 P51681 1/20 0.37
▸ KDM5C P41229 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL3396502 0.80 LTA4H (0.41) S1PR1ALDH1A1LTA4HPDCD1CD274
SCHEMBL3403129 0.80 MAP4K4 (0.43) LTA4HL3MBTL1KDM4E
SCHEMBL27804073 0.79 ALDH1A1 (0.43) S1PR1ALDH1A1L3MBTL1POLB
SCHEMBL4294156 0.78 CHRM2 (0.41) S1PR1SYKALDH1A1LTA4HACVRL1
SCHEMBL6397064 0.78 L3MBTL1 (0.59) ALDH1A1L3MBTL1KDM4EPOLBSMN1; SMN2
SCHEMBL14896745 0.77 CXCR4 (0.50) ALDH1A1KDM5CKDM4CL3MBTL1KDM4E
SCHEMBL6234696 0.76 MAPT (0.41) S1PR1ALDH1A1LTA4HKDM4EPOLB
SCHEMBL3402144 0.75 TRPV6 (0.53) ALDH1A1KDM5CKDM4CL3MBTL1KDM4E
SCHEMBL25427279 0.75 CXCR4 (0.49) ALDH1A1KDM5CKDM4CL3MBTL1KDM4E
SCHEMBL6274032 0.74 ACHE (0.45) SYKCYP3A4JAK3ALDH1A1CCR5

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-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 — — US disclosed
CN-101981036-A Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2011-02-23 — — CN disclosed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 — — EP disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 — — WO 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 (1 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 S1PR1 3592/4885SYK 90/4885CYP3A4 636/4885

“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