SCHEMBL2451183

SCHEMBL2451183

Nc1ncnc(Oc2cccc3cnccc23)c1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.41
KCNA3 P22001 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ERN1 O75460 1/20 0.40
NR3C1 P04150 2/20 0.38
ROCK2 O75116 1/20 0.38
KDR P35968 2/20 0.38
BRAF P15056 1/20 0.37
SCN9A Q15858 1/20 0.37
KDM1A O60341 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CA12 O43570 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
SCHEMBL2453270 0.86 KDM1A (0.47) LMNACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL2451007 0.84 KDR (0.56) KDR
SCHEMBL2451006 0.84 KDR (0.56) KDR
SCHEMBL2455070 0.75 LMNA (0.47) LMNAMAPTHTTALDH1A1CA12
SCHEMBL2451345 0.74 KDR (0.43) MAPTKDRHTTALDH1A1CA12
SCHEMBL2451200 0.70 KDR (0.58) KDRKDM1A
SCHEMBL12303673 0.70 KDR (0.58) KDRKDM1A
SCHEMBL2451202 0.70 KDR (0.58) KDRKDM1A
SCHEMBL2453876 0.70 ALDH1A1 (0.39) MAPTKDRBRAFSCN9AALDH1A1
SCHEMBL3873190 0.69 KCNA3 (0.45) LMNACYP1A2CYP3A4CYP2D6CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013153-B2 Substituted pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2011-09-06 US disclosed
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 US disclosed
WO-2007109783-A2 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 WO 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-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS DTYMK, TK1, DCK LMNA 3668/4885CYP1A2 2026/4885CYP3A4 2925/4885

“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.