SCHEMBL10246428

SCHEMBL10246428

O=c1c(-c2ccccc2)cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n1Cc1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 1/20 0.44
FLT3 P36888 3/20 0.43
PTK2 Q05397 3/20 0.43
RIPK2 O43353 2/20 0.43
ACVR1 Q04771 2/20 0.43
NOD2 Q9HC29 2/20 0.43
TNK2 Q07912 2/20 0.43
CHEK1 O14757 4/20 0.42
CCNT1 O60563 1/20 0.41
CCNK O75909 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CDK12 Q9NYV4 1/20 0.41

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
SCHEMBL15788015 0.93 PTK2 (0.43) WEE1FLT3PTK2TNK2CHEK1
SCHEMBL14866053 0.89 WEE1 (0.43) WEE1PTK2RIPK2ACVR1NOD2
SCHEMBL14681973 0.87 STK4 (0.46) WEE1TNK2
SCHEMBL10246368 0.87 CDK4 (0.47) FLT3PTK2CHEK1CCNT1CCNK
SCHEMBL16286149 0.84 IDH2 (0.38) FLT3PTK2CHEK1CCNT1CCNK
SCHEMBL13553614 0.84 SIK2 (0.44) TNK2CCNT1CCNKCCNE1CDK2
SCHEMBL10192792 0.83 CDK4 (0.51) WEE1PTK2CDK2
SCHEMBL15035089 0.83 STK4 (0.44) WEE1TNK2CCNT1CCNKCCNE1
SCHEMBL15787969 0.83 STK4 (0.44) WEE1TNK2
SCHEMBL15041489 0.82 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2013-08-29 US disclosed
US-20130096115-A1 METHODS FOR TREATING AUTISM AFRAXIS, INC. (US) 2013-04-18 US disclosed
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT AFRAXIS, INC. (US) 2013-03-07 US disclosed
US-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE AFRAXIS, INC. (US) 2012-10-25 US disclosed
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed
WO-2011063415-A2 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT AFRAXIS, INC. (US) 2011-05-26 WO 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 (7 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-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE PSEN2, MAPT, PSEN1 WEE1 4073/4885FLT3 3638/4885PTK2 81/4885
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A WEE1 4223/4885FLT3 3187/4885PTK2 476/4885
US-20130096115-A1 METHODS FOR TREATING AUTISM PAK2, PAK3, PAK4 WEE1 4381/4885FLT3 4307/4885PTK2 74/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 WEE1 1631/4885FLT3 3236/4885PTK2 149/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 WEE1 4268/4885FLT3 2798/4885PTK2 396/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 WEE1 3932/4885FLT3 3015/4885PTK2 117/4885
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT CHAT, PSEN2, PAK2 WEE1 3688/4885FLT3 3975/4885PTK2 222/4885

“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.