SCHEMBL12985200

SCHEMBL12985200

Cc1[nH]nc(-c2ccccc2)c1CC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.50
HPGDS O60760 1/20 0.46
CDK8 P49336 1/20 0.43
CDK5 Q00535 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
AKT2 P31751 2/20 0.41
KMT2A Q03164 2/20 0.41
CHEK1 O14757 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL8515102 0.88 RAB9A (0.49) RAB9AHPGDSPDE4APDE4BPDE4C
SCHEMBL9609104 0.80 RAB9A (0.43) RAB9AHPGDSCDK8CDK5CLK4
SCHEMBL17055639 0.77 PDE4A (0.48) RAB9AHPGDSPDE4APDE4BPDE4C
SCHEMBL1528566 0.76 GAA (0.54) RAB9AHPGDSCDK8CDK5CLK4
SCHEMBL28319223 0.74 PDE4A (0.50) RAB9APDE4APDE4BPDE4CPDE4D
SCHEMBL20654206 0.74 PDE4A (0.46) RAB9AHPGDSPDE4APDE4BPDE4C
SCHEMBL16891682 0.73 P2RX7 (0.48) PDE4DKMT2AMEN1KDM4E
SCHEMBL9496929 0.72 GSTO1 (0.44) RAB9AHPGDSPDE4APDE4BPDE4C
SCHEMBL4382163 0.72 RAB9A (0.49) RAB9AHPGDSAKT2KMT2ACHEK1
SCHEMBL11279977 0.71 CNR1 (0.46) RAB9AHPGDSPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 RAB9A 2360/4885HPGDS 2426/4885CDK8 314/4885
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK RAB9A 2360/4885HPGDS 2426/4885CDK8 314/4885

“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.