SCHEMBL15788015

SCHEMBL15788015

O=c1c(-c2cnc(C3CC3)nc2)cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n1Cc1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.43
WEE1 P30291 1/20 0.41
FLT3 P36888 4/20 0.41
TNK2 Q07912 1/20 0.41
CHEK1 O14757 5/20 0.40
CCNT1 O60563 3/20 0.39
CCNK O75909 3/20 0.39
CCNE1 P24864 3/20 0.39
CDK2 P24941 3/20 0.39
CDK9 P50750 3/20 0.39
CDK12 Q9NYV4 3/20 0.39
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
NTRK1 P04629 2/20 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
SCHEMBL10246428 0.93 WEE1 (0.44) PTK2WEE1FLT3TNK2CHEK1
SCHEMBL10246368 0.84 CDK4 (0.47) PTK2FLT3CHEK1CCNT1CCNK
SCHEMBL14866053 0.82 WEE1 (0.43) PTK2WEE1TNK2CHEK1
SCHEMBL13553894 0.82 WEE1 (0.53) PTK2WEE1FLT3TNK2CCNT1
SCHEMBL14681973 0.82 STK4 (0.46) WEE1TNK2
SCHEMBL15787969 0.80 STK4 (0.44) WEE1TNK2
SCHEMBL15035089 0.80 STK4 (0.44) WEE1TNK2CCNT1CCNKCCNE1
SCHEMBL13553614 0.80 SIK2 (0.44) TNK2CCNT1CCNKCCNE1CDK2
SCHEMBL13553730 0.80 TNK2 (0.45) PTK2WEE1TNK2
SCHEMBL15041489 0.79 STK4 (0.43) WEE1TNK2CCNT1CCNKCCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 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-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER PAK2, PAK1, PAK6 PTK2 61/4885WEE1 368/4885FLT3 984/4885

“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.