SCHEMBL2106919

SCHEMBL2106919

CC(=O)N(C)c1cc(-c2ccnc3c(C#N)c(C)nn23)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.60
PIM1 P11309 11/20 0.60
ACVR1 Q04771 5/20 0.60
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
MAPK1 P28482 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
AOX1 Q06278 1/20 0.38
PDE3A Q14432 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2108181 0.88 NTRK1 (0.57) NTRK1PIM1ACVR1KMT2APOLB
SCHEMBL2107212 0.84 NTRK1 (0.60) NTRK1PIM1ACVR1KMT2APOLB
SCHEMBL1688826 0.81 KDM4E (0.58) NTRK1PIM1ACVR1POLBKDM4E
SCHEMBL2108236 0.74 NTRK1 (0.57) NTRK1PIM1ACVR1KMT2APOLB
SCHEMBL1688819 0.72 L3MBTL1 (0.48) POLBKDM4EALDH1A1L3MBTL1MAPT
SCHEMBL9728518 0.72 NTRK1 (0.70) NTRK1PIM1ACVR1KMT2APOLB
SCHEMBL9728923 0.71 NTRK1 (0.80) NTRK1PIM1ACVR1KMT2APOLB
SCHEMBL29283642 0.70 NTRK1 (0.81) NTRK1PIM1ACVR1KMT2APOLB
SCHEMBL1688829 0.69 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10GABRA1
SCHEMBL11472391 0.68 NTRK1 (0.68) NTRK1PIM1ACVR1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158632-B2 Pyrazolo[1,5-a]pyrimidines, processes, uses and compositions FERRER INTERNACIONAL, S.A. (ES) 2012-04-17 US claimed
EP-2059521-B1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS FERRER INT (ES) 2010-06-02 EP claimed
US-20090264448-A1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS FERRER INTERNATIONAL, S.A. (ES) 2009-10-22 US claimed
EP-1884516-A1 Pyrazolo[1,5-a]pyrimidines, processes, uses and compositions FERRER INTERNACIONAL, S.A. (ES) 2008-02-06 EP claimed
US-8158632-B2 Pyrazolo[1,5-a]pyrimidines, processes, uses and compositions FERRER INTERNACIONAL, S.A. (ES) 2012-04-17 US disclosed
EP-2059521-B1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS FERRER INT (ES) 2010-06-02 EP disclosed
US-20090264448-A1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS FERRER INTERNATIONAL, S.A. (ES) 2009-10-22 US disclosed
EP-2059521-A1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS Ferrer Internacional, S.A. (ES) 2009-05-20 EP disclosed
WO-2008015253-A1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS FERRER INTERNACIONAL, S.A. (ES) 2008-02-07 WO disclosed
EP-1884516-A1 Pyrazolo[1,5-a]pyrimidines, processes, uses and compositions FERRER INTERNACIONAL, S.A. (ES) 2008-02-06 EP 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-20090264448-A1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS P2RX5, GABRA5, P2RX1 NTRK1 1866/4885PIM1 2058/4885ACVR1 1705/4885

“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.