SCHEMBL14197875

SCHEMBL14197875

CCNC1CCCc2cnccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.41
▸ TSHR P16473 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ OPRL1 P41146 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SCN1A P35498 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN8A Q9UQD0 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TAS1R2 Q8TE23 1/20 0.36

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
SCHEMBL17748985 0.83 CHRNB2 (0.46) CHRNB2CHRNA4SIGMAR1TSHRALDH1A1
SCHEMBL1327511 0.78 HTT (0.56) TSHRALDH1A1KDM4EKMT2AMEN1
SCHEMBL14930299 0.78 HTT (0.56) TSHRALDH1A1KDM4EKMT2AMEN1
SCHEMBL1327514 0.78 HTT (0.56) TSHRALDH1A1KDM4EKMT2AMEN1
SCHEMBL5051431 0.77 ALDH1A1 (0.53) TSHRALDH1A1KMT2APOLBMEN1
SCHEMBL5051427 0.77 ALDH1A1 (0.53) TSHRALDH1A1KMT2APOLBMEN1
SCHEMBL21757628 0.76 ALDH1A1 (0.43) CHRNB2CHRNA4SIGMAR1TSHRALDH1A1
SCHEMBL12256567 0.74 CHRNB2 (0.50) CHRNB2CHRNA4SIGMAR1TSHRALDH1A1
SCHEMBL12891523 0.74 CHRNB2 (0.50) CHRNB2CHRNA4SIGMAR1TSHRALDH1A1
SCHEMBL8417453 0.74 CHRNB2 (0.50) CHRNB2CHRNA4SIGMAR1TSHRALDH1A1

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-7354946-B2 prominent growth inhibitory activity against tumor cells; cyclin dependent kinase inhibitors; colon cancer; N'-(3-t-butylisoindolino[3,2-b]oxazolidin-4-on-8-yl)-N-(4-(N-benzylpyrrolidin-3-yl)pyridin-2-yl)urea BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-08 — — US disclosed
US-7354946-B2 prominent growth inhibitory activity against tumor cells; cyclin dependent kinase inhibitors; colon cancer; N'-(3-t-butylisoindolino[3,2-b]oxazolidin-4-on-8-yl)-N-(4-(N-benzylpyrrolidin-3-yl)pyridin-2-yl)urea BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-08 — — US disclosed
US-20070027147-A1 Biarylurea derivatives MSD K.K. (JP) 2007-02-01 — — US disclosed
US-20070027147-A1 Biarylurea derivatives MSD K.K. (JP) 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-20070027147-A1 Biarylurea derivatives CDK6, CDK4, CCNI CHRNB2 4758/4885CHRNA4 4451/4885SIGMAR1 2868/4885

“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.

Send feedback