SCHEMBL14030757

SCHEMBL14030757

O=C(NCc1nc2ccccc2[nH]1)c1cnc(NNCc2ccccc2)nc1CF

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 2/20 0.45
MAPK10 P53779 2/20 0.45
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
SLC40A1 Q9NP59 3/20 0.42
CNR2 P34972 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
SCHEMBL14005263 0.86 CNR2 (0.58) RAB9APOLBSMN1; SMN2KMT2AKDM4E
SCHEMBL14029902 0.86 CNR2 (0.52) KMT2ALMNAGAACNR2
SCHEMBL14030758 0.78 PADI2 (0.45) MAPTLMNAALDH1A1HTT
SCHEMBL14005267 0.76 MAPT (0.54) RAB9APOLBKMT2AKDM4EMAPT
SCHEMBL14030749 0.74 ACACB (0.43) SMN1; SMN2KDM4EHSD17B10TSHRMAPT
SCHEMBL14030760 0.71 KMT2A (0.46) RAB9AKMT2AMAPTGAAALDH1A1
SCHEMBL14005266 0.71 RAB9A (0.55) RAB9AKMT2AKDM4EMAPK10MAPT
SCHEMBL4745657 0.71 CNR2 (0.76) LMNACNR2
SCHEMBL14025800 0.70 MAPT (0.66) RAB9APOLBSMN1; SMN2KMT2AKDM4E
SCHEMBL7080320 0.70 MAPT (0.73) RAB9APOLBSMN1; SMN2KMT2AKDM4E

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-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 RAB9A 1363/4885POLB 2589/4885SMN1; SMN2 4829/4885

“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.