SCHEMBL3222241

SCHEMBL3222241

O=C(c1ccccc1)c1ccc(Nc2nc(Nc3ccc(C(=O)c4ccccc4)cc3)nc(-c3cccn3Cc3ccccc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.44
MAPK12 P53778 2/20 0.44
MAPK11 Q15759 2/20 0.44
MAPK14 Q16539 2/20 0.44
CYP19A1 P11511 3/20 0.43
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
RHOA P61586 1/20 0.41
KCNH3 Q9ULD8 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
NAMPT P43490 1/20 0.39
MMP2 P08253 1/20 0.39
MMP7 P09237 1/20 0.39
MMP10 P09238 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL14025439 0.88 KCNH3 (0.49) RHOAKCNH3SMN1; SMN2RAB9AMAPT
SCHEMBL3219439 0.85 DHFR (0.43) KCNH3MAPTMAPK1
SCHEMBL3226446 0.82 KCNH3 (0.40) KCNH3MAPTHTTMAPK1
SCHEMBL3226440 0.82 KCNH3 (0.40) KCNH3MAPTHTTMAPK1
SCHEMBL3226231 0.82 MAPT (0.46) POLBSMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL3230531 0.81 L3MBTL1 (0.43) KCNH3SMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL3209031 0.81 MKNK1 (0.43) KCNH3MAPTNAMPT
SCHEMBL3219351 0.78 RAB9A (0.42) RAB9AMAPTKDM4EHTTNPC1
SCHEMBL3217193 0.78 AURKA (0.39) POLBRXFP1KCNH3SMN1; SMN2RAB9A
SCHEMBL3218461 0.76 RAB9A (0.47) POLBSMN1; SMN2RAB9AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2010-02-25 US claimed
US-20080253978-A1 Derivatives of Pyrrolyltriazine Together with Methods for Obtaining Them and Their Use as Protecting Agents Uv Radiation ISDIN, S.A. (ES) 2008-10-16 US claimed
WO-2008083975-A1 LIGHT-STABILIZED COMPOSITION ISDIN S.A. (ES) 2008-07-17 WO claimed
WO-2008083974-A1 ACTIVE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2008-07-17 WO claimed
WO-2008067928-A1 UV ABSORBING COMPOSITIONS CONTAINING A PYRROLYLTRIAZINE ISDIN S.A. (ES) 2008-06-12 WO claimed
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2010-02-25 US disclosed
US-20080253978-A1 Derivatives of Pyrrolyltriazine Together with Methods for Obtaining Them and Their Use as Protecting Agents Uv Radiation ISDIN, S.A. (ES) 2008-10-16 US disclosed
US-20080253978-A1 Derivatives of Pyrrolyltriazine Together with Methods for Obtaining Them and Their Use as Protecting Agents Uv Radiation ISDIN, S.A. (ES) 2008-10-16 US disclosed
US-20080253978-A1 Derivatives of Pyrrolyltriazine Together with Methods for Obtaining Them and Their Use as Protecting Agents Uv Radiation ISDIN, S.A. (ES) 2008-10-16 US disclosed
WO-2008083975-A1 LIGHT-STABILIZED COMPOSITION ISDIN S.A. (ES) 2008-07-17 WO disclosed
WO-2008083974-A1 ACTIVE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2008-07-17 WO disclosed
WO-2008067928-A1 UV ABSORBING COMPOSITIONS CONTAINING A PYRROLYLTRIAZINE ISDIN S.A. (ES) 2008-06-12 WO disclosed
WO-2008067928-A1 UV ABSORBING COMPOSITIONS CONTAINING A PYRROLYLTRIAZINE ISDIN S.A. (ES) 2008-06-12 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 (2 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-20100047185-A1 ACTVIE SUBSTANCE COMBINATION UGT2B17, TACR2, UGT1A1 MAPK13 3997/4885MAPK12 3536/4885MAPK11 3594/4885
US-20080253978-A1 Derivatives of Pyrrolyltriazine Together with Methods for Obtaining Them and Their Use as Protecting Agents Uv Radiation UNG, TPMT, PPOX MAPK13 4202/4885MAPK12 4605/4885MAPK11 3970/4885

“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.