SCHEMBL14620622

SCHEMBL14620622

Clc1nc(CI)c2[nH]cnc2n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.51
▸ DPP4 P27487 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TMIGD3 P0DMS9 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ CDK2 P24941 1/20 0.40
▸ PDPK1 O15530 1/20 0.38
▸ GDA Q9Y2T3 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL5839305 0.82 XDH (0.51) XDHDPP4SMN1; SMN2KDM4ETMIGD3
SCHEMBL16146535 0.82 XDH (0.56) XDHDPP4SMN1; SMN2KDM4ETMIGD3
SCHEMBL27397766 0.82 XDH (0.51) XDHDPP4SMN1; SMN2KDM4ETMIGD3
SCHEMBL30846558 0.76 PDE4A (0.50) XDHSMN1; SMN2TMIGD3HTR2CHTR2B
SCHEMBL5935896 0.76 CDK2 (0.61) XDHDPP4SMN1; SMN2KDM4ETMIGD3
SCHEMBL37384 0.75 DPP4 (0.66) XDHDPP4SMN1; SMN2KDM4ETMIGD3
Hydrochloric Acid SCHEMBL4763244 0.73 DPP4 (0.63) XDHDPP4SMN1; SMN2KDM4ETMIGD3
SCHEMBL11456967 0.73 DPP4 (0.63) XDHDPP4SMN1; SMN2KDM4ETMIGD3
SCHEMBL8719273 0.73 DPP4 (0.63) XDHDPP4SMN1; SMN2KDM4ETMIGD3
SCHEMBL24500763 0.72 XDH (0.56) XDHDPP4SMN1; SMN2KDM4ETMIGD3

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-20070027151-A1 Heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2007-02-01 — — 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-20070027151-A1 Heterocyclic compounds NRAS, OXER1, HCRTR2 XDH 728/4885DPP4 4696/4885SMN1; SMN2 2059/4885

“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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