SCHEMBL4120696

SCHEMBL4120696

C=Cn1cnc2c(Cl)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 9/20 0.45
▸ FGFR4 P22455 9/20 0.45
▸ FDPS P14324 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ P2RX7 Q99572 2/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.40
▸ ADORA2A P29274 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ DGAT1 O75907 1/20 0.32

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
SCHEMBL4140683 0.80 P2RX7 (0.42) FGFR1FGFR4SRCP2RX7HDAC6
SCHEMBL4123842 0.78 ADORA2A (0.59) ADORA2AKDM4ELMNA
SCHEMBL13811638 0.78 SRC (0.47) SRCADORA2AKDM4ELMNA
SCHEMBL4864331 0.78 ADORA2A (0.59) ADORA2AKDM4ELMNA
SCHEMBL9192712 0.78 SRC (0.44) FGFR1FGFR4SRCP2RX7ADORA2A
SCHEMBL29729351 0.78 ADORA2A (0.59) ADORA2AKDM4ELMNA
SCHEMBL6288387 0.77 NPC1 (0.52) FGFR1FGFR4FDPSP2RX7HDAC6
SCHEMBL4137935 0.75 CDK1 (0.38) FGFR1FGFR4SRCP2RX7
SCHEMBL4120821 0.74 YTHDC1 (0.60) SRCADORA2APDE4APDE4BPDE4C
SCHEMBL22080198 0.74 FLT4 (0.46) SRCADORA2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586566-B2 Unsaturated heterocyclic derivatives ARIAD PHARMACEUTICALS, INC. (US) 2013-11-19 — — US disclosed
US-8586566-B2 Unsaturated heterocyclic derivatives ARIAD PHARMACEUTICALS, INC. (US) 2013-11-19 — — US disclosed
US-20120178716-A1 Unsaturated Heterocyclic Derivatives ARIAD PHARMACEUTICALS, INC. (US) 2012-07-12 — — US disclosed
US-20120178716-A1 Unsaturated Heterocyclic Derivatives ARIAD PHARMACEUTICALS, INC. (US) 2012-07-12 — — US disclosed
US-20120178716-A1 Unsaturated Heterocyclic Derivatives ARIAD PHARMACEUTICALS, INC. (US) 2012-07-12 — — US disclosed
US-8071609-B2 Unsaturated heterocyclic derivatives ARIAD PHARMACEUTICALS, INC. (US) 2011-12-06 — — US disclosed
US-8071609-B2 Unsaturated heterocyclic derivatives ARIAD PHARMACEUTICALS, INC. (US) 2011-12-06 — — US disclosed
US-8071609-B2 Unsaturated heterocyclic derivatives ARIAD PHARMACEUTICALS, INC. (US) 2011-12-06 — — US disclosed
US-20090156596-A1 Unsaturated Heterocyclic Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 — — US disclosed
US-20090156596-A1 Unsaturated Heterocyclic Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 — — US disclosed
EP-1940843-A2 UNSATURATED HETEROCYCLIC DERIVATIVES ARIAD PHARMACEUTICALS, INC. (US) 2008-07-09 — — EP disclosed
WO-2007021937-A2 UNSATURATED HETEROCYCLIC DERIVATIVES ARIAD PHARMACEUTICALS, INC. (US) 2007-02-22 — — WO disclosed
WO-2007021937-A2 UNSATURATED HETEROCYCLIC DERIVATIVES ARIAD PHARMACEUTICALS, INC. (US) 2007-02-22 — — 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 (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-20090156596-A1 Unsaturated Heterocyclic Derivatives CYP2F1, CYP2J2, ALOX5 FGFR1 1438/4885FGFR4 1138/4885FDPS 43/4885
US-20120178716-A1 Unsaturated Heterocyclic Derivatives CYP2F1, CYP2J2, ALOX5 FGFR1 1438/4885FGFR4 1138/4885FDPS 43/4885

“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.

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