SCHEMBL4404396

SCHEMBL4404396

CC(C)(C)c1cccc(-c2cnccn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.57
PIM2 Q9P1W9 1/20 0.47
ABL1 P00519 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
BACE1 P56817 3/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
BACE2 Q9Y5Z0 2/20 0.40
DHFR P00374 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39

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
SCHEMBL2406368 0.83 IDO1 (0.54) KIF11PIM2ABL1CTSSPIM1
SCHEMBL29262130 0.82 CYP2D6 (0.40) KIF11PIM2RXRARXRBCYP2D6
Hydrochloric Acid SCHEMBL28429357 0.82 IDO1 (0.53) KIF11PIM2ABL1CTSSPIM1
SCHEMBL13484092 0.81 KIF11 (0.58) KIF11CTSSCTSKRXRARXRB
SCHEMBL29380379 0.81 KIF11 (0.58) KIF11CTSSCTSKRXRARXRB
SCHEMBL21290740 0.80 PIM2 (0.55) PIM2ABL1BACE1BACE2DHFR
SCHEMBL30153625 0.79 KIF11 (0.56) KIF11ABL1CTSSCTSKRXRA
SCHEMBL29072676 0.79 KIF11 (0.56) KIF11CTSSCTSKRXRARXRB
SCHEMBL30274952 0.79 KIF11 (0.56) KIF11CTSSCTSKRXRARXRB
SCHEMBL4404606 0.79 KIF11 (0.56) KIF11ABL1CTSSCTSKRXRA

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-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK KIF11 3869/4885PIM2 680/4885ABL1 64/4885

“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.