SCHEMBL15034853

SCHEMBL15034853

O=c1c(C2CC2)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1Cc1ocnc1C1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.43
BRD4 O60885 3/20 0.43
JAK1 P23458 1/20 0.43
BRD2 P25440 1/20 0.43
JAK3 P52333 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43
FGFR1 P11362 4/20 0.39
FGFR4 P22455 4/20 0.39
KDR P35968 1/20 0.39
STK17A Q9UEE5 1/20 0.39
TNK2 Q07912 2/20 0.39
WEE1 P30291 2/20 0.39
BTK Q06187 1/20 0.38
CSF1R P07333 1/20 0.38
CDK4 P11802 4/20 0.38
CDK6 Q00534 1/20 0.38
PAK4 O96013 1/20 0.37
PKN1 Q16512 1/20 0.37
CCNA2 P20248 3/20 0.37

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
SCHEMBL15034973 0.82 PAK4 (0.39) JAK2BRD4JAK1BRD2JAK3
SCHEMBL15035072 0.81 JAK2 (0.42) JAK2BRD4JAK1BRD2JAK3
SCHEMBL15034788 0.78 CDK4 (0.46) JAK2BRD4JAK1BRD2JAK3
SCHEMBL15034994 0.78 JAK2 (0.44) JAK2BRD4JAK1BRD2JAK3
SCHEMBL15034822 0.76 PTK2 (0.40) JAK2BRD4JAK1BRD2JAK3
SCHEMBL15035760 0.76 JAK2 (0.45) JAK2BRD4JAK1BRD2JAK3
SCHEMBL15035932 0.75 JAK2 (0.43) JAK2BRD4JAK1BRD2JAK3
SCHEMBL15034776 0.75 PAK4 (0.37) JAK2BRD4JAK1BRD2JAK3
SCHEMBL15034811 0.74 CDK2 (0.37) FGFR1FGFR4CDK4CCNA2FGFR2
SCHEMBL15237035 0.73 PTK2 (0.40) JAK2BRD4JAK1BRD2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 US disclosed
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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 (2 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-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK5 JAK2 319/4885BRD4 692/4885JAK1 609/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 JAK2 720/4885BRD4 1003/4885JAK1 1718/4885

“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.