SCHEMBL4121599

SCHEMBL4121599

C=Cn1cnc2c(Nc3ccccc3)ncnc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.67
ABL1 P00519 4/20 0.48
RAF1 P04049 1/20 0.47
CSF1R P07333 1/20 0.47
KIT P10721 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
EPHB4 P54760 1/20 0.47
EPHB1 P54762 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL4133951 0.81 SRC (1.00) SRCABL1RAF1CSF1RKIT
SCHEMBL28251696 0.79 LMNA (0.50) ABL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28251680 0.78 LMNA (0.49) ABL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28251690 0.78 LMNA (0.49) SRCABL1NPC1RAB9ASMN1; SMN2
SCHEMBL6660171 0.78 CDK1 (0.63) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL5355407 0.78 LMNA (0.49) ABL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28252178 0.78 LMNA (0.49) ABL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL15518357 0.78 NPC1 (0.46) SRCNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4120821 0.77 YTHDC1 (0.60) SRCNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL31061395 0.77 EGFR (0.59) ABL1NPC1RAB9ASMN1; SMN2LMNA

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-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-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

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 SRC 4651/4885ABL1 1652/4885RAF1 4111/4885
US-20120178716-A1 Unsaturated Heterocyclic Derivatives CYP2F1, CYP2J2, ALOX5 SRC 4651/4885ABL1 1652/4885RAF1 4111/4885

“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.