SCHEMBL10044810

SCHEMBL10044810

CC(C)[C@@H](Nc1nc(-c2ccc3c(c2)OCCO3)ncc1F)C(=O)NCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT7 Q9NVM4 2/20 0.46
CCND1 P24385 3/20 0.38
CDK6 Q00534 3/20 0.38
FGFR3 P22607 8/20 0.38
TRPV1 Q8NER1 1/20 0.38
KDR P35968 5/20 0.36
DYRK1A Q13627 1/20 0.35
SYK P43405 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL10044686 0.95 PRMT7 (0.46) PRMT7CCND1CDK6FGFR3TRPV1
SCHEMBL10044760 0.84 CLK4 (0.41) DYRK1AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10044792 0.83 FGFR3 (0.38) FGFR3KDR
SCHEMBL10044807 0.83 FGFR3 (0.39) CDK6FGFR3KDR
SCHEMBL10044773 0.81 PRMT7 (0.46) PRMT7CCND1CDK6FGFR3KDR
SCHEMBL10044759 0.81 FGFR3 (0.39) FGFR3KDRALDH1A1
SCHEMBL10044654 0.81 AKR1C3 (0.41) FGFR3KDR
SCHEMBL10044660 0.80 PTGES (0.39) FGFR3KDR
SCHEMBL10044673 0.79 FGFR3 (0.37) FGFR3KDR
SCHEMBL10044687 0.79 PI4KA (0.40) FGFR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-21 US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 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 (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-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PRMT7 1103/4885CCND1 2451/4885CDK6 63/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PRMT7 1103/4885CCND1 2451/4885CDK6 63/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PRMT7 1103/4885CCND1 2451/4885CDK6 63/4885

“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.