SCHEMBL4899702

SCHEMBL4899702

COc1ccc(-c2nccs2)nc1Nc1ccc(N2CCCCC2=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.40
HCRTR2 O43614 5/20 0.40
F10 P00742 1/20 0.39
PIP4K2A P48426 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
MET P08581 1/20 0.35
ROS1 P08922 1/20 0.35
ALK Q9UM73 1/20 0.35
CRHR1 P34998 1/20 0.35
KDM6B O15054 1/20 0.34
SCN9A Q15858 1/20 0.34
POLB P06746 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
CDK6 Q00534 1/20 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
Hydrochloric Acid SCHEMBL5257872 0.99 HCRTR1 (0.40) HCRTR1HCRTR2F10PIP4K2ASMN1; SMN2
SCHEMBL4896616 0.97 HCRTR1 (0.41) HCRTR1HCRTR2F10PIP4K2ASMN1; SMN2
Hydrochloric Acid SCHEMBL4901103 0.90 CCND3 (0.37) HCRTR1HCRTR2CRHR1CDK1CDK4
Hydrochloric Acid SCHEMBL4895695 0.88 CDK4 (0.36) HCRTR1HCRTR2CRHR1CDK4CCNA2
SCHEMBL4904908 0.88 PTK2 (0.38) HCRTR1HCRTR2SMN1; SMN2CRHR1KDM6B
SCHEMBL4891073 0.86 CTSC (0.40) CDK1CDK4CCNA2CCNE1CDK2
SCHEMBL4902677 0.86 F10 (0.42) F10SMN1; SMN2MAPTMETROS1
Hydrochloric Acid SCHEMBL4902615 0.85 MAP4K1 (0.38) HCRTR1HCRTR2CRHR1KDM6BCDK4
SCHEMBL4894058 0.85 CTSC (0.40) CDK1CDK4CCNA2CCNE1CDK2
SCHEMBL4895091 0.84 HCRTR1 (0.37) HCRTR1HCRTR2KDM6BCDK4CCND3

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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators KCNJ2, KCNH2, KCNQ1 HCRTR1 2726/4885HCRTR2 1689/4885F10 1686/4885

“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.