SCHEMBL405791

SCHEMBL405791

O=C(NC1CCCCC1)c1cnn2cnc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
NR3C1 P04150 2/20 0.44
CNR1 P21554 2/20 0.44
HPGD P15428 1/20 0.43
HSD11B1 P28845 1/20 0.43
LMNA P02545 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42

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
SCHEMBL405637 0.77 EPHX2 (0.47) POLBNPC1RAB9AHSD11B1
SCHEMBL10190982 0.73 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBKMT2AGAA
SCHEMBL19562537 0.73 EPHB3 (0.64) ALDH1A1KDM4EPOLBKMT2AHSD11B1
SCHEMBL405792 0.72 EPHB3 (0.52) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL405964 0.72 EPHB3 (0.39) KDM4EKMT2ALMNA
SCHEMBL18757492 0.70 KDM4E (0.66) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL18754643 0.70 KDM4E (0.66) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL21689538 0.70 KDM4E (0.66) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL18732210 0.70 KDM4E (0.66) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL21765615 0.69 IRAK4 (0.57) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ALDH1A1 1236/4885KDM4E 1299/4885POLB 2697/4885

“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.