SCHEMBL4904908

SCHEMBL4904908

COc1ccc(-c2nccs2)nc1Nc1ccc(N2CCN(C)CC2=O)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.38
CCND3 P30281 7/20 0.36
CDK6 Q00534 7/20 0.36
CDK4 P11802 6/20 0.36
CCND1 P24385 6/20 0.36
CDK9 P50750 5/20 0.36
CCNT1 O60563 3/20 0.36
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
CSF1R P07333 3/20 0.36
NTRK2 Q16620 3/20 0.36
NTRK1 P04629 2/20 0.36
CTSC P53634 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CCNA2 P20248 4/20 0.34
CDK2 P24941 4/20 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 SCHEMBL4901103 0.91 CCND3 (0.37) CCND3CDK6CDK4CCND1CDK9
SCHEMBL4896616 0.89 HCRTR1 (0.41) HCRTR1HCRTR2SYKKDM6BCRHR1
SCHEMBL4899702 0.88 HCRTR1 (0.40) CCND3CDK6CDK4HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL5257872 0.87 HCRTR1 (0.40) CCND3CDK6CDK4HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL4901700 0.86 PTK2 (0.39) PTK2CCND3CDK6CDK4CCND1
Hydrochloric Acid SCHEMBL4892348 0.86 HCRTR1 (0.36) CCND3CDK6CDK4CCND1HCRTR1
Hydrochloric Acid SCHEMBL4902615 0.85 MAP4K1 (0.38) CCND3CDK6CDK4CCND1CDK9
SCHEMBL4901213 0.85 CTSC (0.47) CCND3CDK6CDK4CCND1CDK9
Hydrochloric Acid SCHEMBL4895695 0.85 CDK4 (0.36) CCND3CDK6CDK4CCND1CDK9
SCHEMBL4898764 0.83 CDK4 (0.39) CCND3CDK6CDK4CCND1CDK9

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 PTK2 3425/4885CCND3 4452/4885CDK6 2720/4885

“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.