SCHEMBL14197924

SCHEMBL14197924

CCCNCc1cccc(OCCCc2cccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.55
▸ SCN8A Q9UQD0 1/20 0.52
▸ BCHE P06276 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NOS1 P29475 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ CYP2D6 P10635 2/20 0.45
▸ NAMPT P43490 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45

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
SCHEMBL5947302 0.89 MAPK1 (0.56) MAPK1SCN8ABCHETDP1ALDH1A1
SCHEMBL14197917 0.88 ALDH1A1 (0.62) MAPK1SCN8ABCHETDP1L3MBTL1
SCHEMBL14197925 0.86 MAPK1 (0.69) MAPK1BCHETDP1ALDH1A1TP53
SCHEMBL14197926 0.85 BCHE (0.67) MAPK1BCHECHRM2CYP2D6
SCHEMBL10235855 0.79 TSHR (0.52) MAPK1TDP1L3MBTL1KMT2ACYP2D6
SCHEMBL13106257 0.78 TDP1 (0.58) MAPK1TDP1L3MBTL1ALDH1A1POLB
SCHEMBL13645863 0.78 HSD17B10 (0.52) MAPK1TDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL3738479 0.77 CYP1A2 (0.71) SCN8ATDP1L3MBTL1ALDH1A1TP53
SCHEMBL5947434 0.77 BCHE (0.58) MAPK1BCHEALDH1A1KMT2ACYP2D6
SCHEMBL14197923 0.76 SMN1; SMN2 (0.65) MAPK1BCHEALDH1A1KMT2A

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 MAPK1 1152/4885SCN8A 4695/4885BCHE 2241/4885

“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