SCHEMBL10044762

SCHEMBL10044762

O=C(NCC(F)(F)F)[C@H]1CCCN1c1ccnc(-c2c[nH]c3ccc(Cl)cc23)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 11/20 0.43
PIM2 Q9P1W9 11/20 0.43
PIM3 Q86V86 9/20 0.43
JAK3 P52333 5/20 0.38
F2 P00734 1/20 0.37
CDK9 P50750 2/20 0.36
CCNT1 O60563 1/20 0.36
CCNK O75909 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
PLK4 O00444 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
STK10 O94804 1/20 0.36
ABL1 P00519 1/20 0.36
PRKCB P05771 1/20 0.36
MET P08581 1/20 0.36
TOP2A P11388 1/20 0.36
PRKCA P17252 1/20 0.36

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
SCHEMBL2630056 0.91 JAK3 (0.41) JAK3CDK9PLK4JAK2ROCK2
SCHEMBL2630054 0.91 JAK3 (0.41) JAK3CDK9PLK4JAK2ROCK2
SCHEMBL2630065 0.88 JAK3 (0.41) JAK3CDK9PLK4JAK2ROCK2
SCHEMBL10044799 0.86 JAK3 (0.39) PIM1PIM2JAK3F2CDK9
SCHEMBL2630077 0.85 JAK3 (0.42) JAK3CDK9PLK4JAK2ROCK2
SCHEMBL2630237 0.83 JAK3 (0.42) JAK3CDK9PLK4JAK2ROCK2
SCHEMBL2630215 0.83 NOS2 (0.37)
SCHEMBL14236482 0.82 JAK3 (0.42) PIM1PIM2PIM3JAK3CDK9
SCHEMBL14978045 0.82 PIM1 (0.38) PIM1PIM2PIM3JAK3CDK9
SCHEMBL14236634 0.80 JAK3 (0.42) PIM1PIM2PIM3JAK3CDK9

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 6 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-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 PIM1 180/4885PIM2 186/4885PIM3 230/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PIM1 180/4885PIM2 186/4885PIM3 230/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PIM1 180/4885PIM2 186/4885PIM3 230/4885

“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.