SCHEMBL20358474

SCHEMBL20358474

C[C@@H](NC(=O)c1cc(C(C)(C)O)on1)c1ccc(-c2ccnc3[nH]nc(N4CCOCC4)c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 11/20 0.41
▸ PDE2A O00408 1/20 0.41
▸ KIT P10721 3/20 0.37
▸ PDGFRA P16234 3/20 0.37
▸ KDR P35968 3/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ AURKA O14965 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL20358475 1.00 MAPK1 (0.41) MAPK1PDE2AKITPDGFRAKDR
SCHEMBL20358760 0.91 TSHR (0.35) MAPK1PDE2ATSHRALDH1A1
SCHEMBL20358758 0.91 TSHR (0.35) MAPK1PDE2ATSHRALDH1A1
SCHEMBL20358684 0.88 LRRK2 (0.38) MAPK1PDE2ATSHR
SCHEMBL20358685 0.88 LRRK2 (0.38) MAPK1PDE2ATSHR
SCHEMBL20359286 0.86 CDK13 (0.38) MAPK1PDE2A
SCHEMBL20359287 0.86 CDK13 (0.38) MAPK1PDE2A
SCHEMBL20371799 0.86 ACACB (0.36) PDE2A
SCHEMBL20358892 0.86 ACACB (0.39) PDE2A
SCHEMBL20358894 0.86 ACACB (0.39) PDE2A

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-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-07-12 — — US claimed
US-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-07-12 — — US disclosed
US-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-07-12 — — US disclosed
US-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-07-12 — — 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 (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-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LCK MAPK1 558/4885PDE2A 1143/4885KIT 1271/4885

“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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