SCHEMBL3547238

SCHEMBL3547238

Nc1noc2ccc(CC(=O)O)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.49
▸ ALDH1A1 P00352 5/20 0.48
▸ GAA P10253 5/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 5/20 0.46
▸ HPGD P15428 4/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ TSHR P16473 3/20 0.46
▸ NFKB1 P19838 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ RGS12 O14924 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ GNAI1 P63096 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ HIF1A Q16665 1/20 0.46

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
SCHEMBL10083311 0.81 MAPT (0.56) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL12984211 0.80 F2 (0.42) MAPTALDH1A1GAANFKB1NTRK1
SCHEMBL17442864 0.78 ROCK1 (0.42) CA2NTRK1F10SCN9A
SCHEMBL13194758 0.78 MAPT (0.49) MAPTALDH1A1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL17442621 0.77 ROCK1 (0.41) MAPTGAACA2NTRK1F10
SCHEMBL12044601 0.77 RAB9A (0.41) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL28372349 0.77 AKT1 (0.36) MAPTLMNACA2NTRK1F10
SCHEMBL17442612 0.74 AURKB (0.40) MAPTCA2NTRK1F10SCN9A
SCHEMBL17442556 0.74 MAPT (0.37) MAPTCA2NTRK1F10MET
SCHEMBL13486441 0.73 IKBKE (0.45) GABRA1GABRB2NTRK1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694509-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN-RELATED KINASES PFIZER LTD (GB) 2016-05-18 — — EP disclosed
EP-2694509-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN-RELATED KINASES PFIZER LTD (GB) 2016-05-18 — — EP disclosed
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-12-11 — — US disclosed
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-12-11 — — US disclosed
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-12-11 — — US disclosed
US-8846698-B2 Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors PFIZER LIMITED (US) 2014-09-30 — — US disclosed
US-8846698-B2 Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors PFIZER LIMITED (US) 2014-09-30 — — US disclosed
US-8846698-B2 Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors PFIZER LIMITED (US) 2014-09-30 — — US disclosed
EP-2694509-A1 PYRROLO [2, 3 -D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES Pfizer Limited (GB) 2014-02-12 — — EP disclosed
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2012-10-11 — — US disclosed
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2012-10-11 — — US disclosed
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2012-10-11 — — US disclosed
WO-2012137089-A1 PYRROLO [2, 3 -D] PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES PFIZER LIMITED (GB) 2012-10-11 — — WO disclosed
US-7662824-B2 Acylhydrazones as kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2010-02-16 — — US disclosed
US-20070066610-A1 Acylhydrazones as kinase modulators JANSSEN PHARMACEUTICAL, N.V. (BE) 2007-03-22 — — US disclosed
WO-2006101937-A1 ACYLHYDRAZONES AS KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-28 — — 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 (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-20070066610-A1 Acylhydrazones as kinase modulators MET, ERBB2, ERBB3 MAPT 3481/4885ALDH1A1 379/4885GAA 2051/4885
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK MAPT 1597/4885ALDH1A1 4160/4885GAA 2827/4885
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK MAPT 1597/4885ALDH1A1 4160/4885GAA 2827/4885

“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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