SCHEMBL13172811

SCHEMBL13172811

O=C(O)CN1CCc2cccnc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
RIPK1 Q13546 2/20 0.42
NTRK1 P04629 1/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
CASP1 P29466 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TGM2 P21980 1/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALOX12 P18054 1/20 0.40
OPRK1 P41145 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 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
Hydrochloric Acid SCHEMBL12985522 0.99 L3MBTL1 (0.43) L3MBTL1RIPK1NTRK1ALDH1A1KDM4E
SCHEMBL5453472 0.87 L3MBTL1 (0.43) L3MBTL1RIPK1NTRK1ALDH1A1KDM4E
SCHEMBL5448603 0.83 ALDH1A1 (0.47) L3MBTL1RIPK1NTRK1ALDH1A1KDM4E
SCHEMBL12984530 0.80 KCNQ2 (0.41) L3MBTL1NTRK1ALDH1A1KDM4EMEN1
SCHEMBL11923137 0.78 PNMT (0.43) KDM4EKMT2AGAALMNAMAPT
SCHEMBL3478431 0.78 ALDH1A1 (0.59) L3MBTL1ALDH1A1KDM4ECASP1MEN1
SCHEMBL30662759 0.78 MEN1 (0.53) KDM4EMEN1KMT2AGAALMNA
SCHEMBL12984920 0.78 MEN1 (0.53) KDM4EMEN1KMT2AGAALMNA
SCHEMBL29860649 0.77 RIPK1 (0.49) RIPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8383914 0.77 RIPK1 (0.49) RIPK1ALDH1A1KDM4EMEN1KMT2A

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 8 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
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
WO-2012137089-A1 PYRROLO [2, 3 -D] PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES PFIZER LIMITED (GB) 2012-10-11 WO 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

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-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK L3MBTL1 3251/4885RIPK1 543/4885NTRK1 13/4885
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK L3MBTL1 3251/4885RIPK1 543/4885NTRK1 13/4885

“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.