SCHEMBL4489095

SCHEMBL4489095

COCC1CCC(Nc2nc(-c3ccc(O)cc3)cnc2N)CC1.COCC1CCC(Nc2nc(Br)cnc2N)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.36
SYK P43405 2/20 0.36
MELK Q14680 1/20 0.36
DYRK1A Q13627 1/20 0.35
ACVR1 Q04771 2/20 0.35
PRKDC P78527 1/20 0.34
ATM Q13315 1/20 0.34
ATR Q13535 1/20 0.34
ACVR2A P27037 1/20 0.34
TGFBR2 P37173 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
LDHA P00338 2/20 0.34
LDHB P07195 2/20 0.34
KCNH2 Q12809 1/20 0.34
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
GAS6 Q14393 1/20 0.34
MTOR P42345 3/20 0.34

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
SCHEMBL481986 0.95 PIK3CG (0.39) PIK3CGSYKMELKDYRK1AACVR1
SCHEMBL481975 0.95 PIK3CG (0.39) PIK3CGSYKMELKDYRK1AACVR1
SCHEMBL4409860 0.86 JAK1 (0.42) SYKJAK1TYK2KCNH2FLT3
SCHEMBL4409858 0.86 JAK1 (0.42) SYKJAK1TYK2KCNH2FLT3
SCHEMBL481569 0.82 PIK3CG (0.42) PIK3CGMELKACVR1PRKDCATM
SCHEMBL481568 0.82 PIK3CG (0.42) PIK3CGMELKACVR1PRKDCATM
SCHEMBL481582 0.73 JAK1 (0.42) PIK3CGJAK1TYK2FLT3TYRO3
SCHEMBL481581 0.73 JAK1 (0.42) PIK3CGJAK1TYK2FLT3TYRO3
SCHEMBL15204665 0.73 ADORA2A (0.42) SYKATRJAK1TYK2FLT3
SCHEMBL2210308 0.71 MAPK8 (0.44) JAK1TYK2

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
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 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-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 PIK3CG 842/4885SYK 256/4885MELK 667/4885

“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.