SCHEMBL3230531

SCHEMBL3230531

c1ccc(Cn2cccc2-c2nc(Nc3ccc4ccccc4c3)nc(Nc3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.43
JAK2 O60674 2/20 0.43
NPC1 O15118 1/20 0.43
TNF P01375 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
NOD1 Q9Y239 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DHFR P00374 4/20 0.40
NR1I2 O75469 1/20 0.40
ERBB2 P04626 1/20 0.39
KCNH3 Q9ULD8 2/20 0.39
GAA P10253 2/20 0.38
KDR P35968 2/20 0.38
CDK1 P06493 2/20 0.38
CDK2 P24941 2/20 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 0.87 KCNH3 (0.49) L3MBTL1MAPTMAPK1RAB9AALDH1A1
SCHEMBL3219439 0.85 DHFR (0.43) L3MBTL1MAPTMAPK1ALDH1A1DHFR
SCHEMBL3217193 0.82 AURKA (0.39) L3MBTL1MAPTJAK2NPC1RAB9A
SCHEMBL3226446 0.82 KCNH3 (0.40) L3MBTL1MAPTMAPK1ALDH1A1DHFR
SCHEMBL3226440 0.82 KCNH3 (0.40) L3MBTL1MAPTMAPK1ALDH1A1DHFR
SCHEMBL3222241 0.81 MAPK13 (0.44) MAPTNPC1MAPK1RAB9AKCNH3
SCHEMBL3209031 0.80 MKNK1 (0.43) MAPTDHFRKCNH3MEN1KMT2A
SCHEMBL3218461 0.76 RAB9A (0.47) L3MBTL1MAPTNPC1MAPK1RAB9A
SCHEMBL21914609 0.73 ALDH1A1 (0.65) L3MBTL1MAPTJAK2NPC1TNF
SCHEMBL3226231 0.73 MAPT (0.46) L3MBTL1MAPTNPC1MAPK1RAB9A

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 15 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
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
EP-1891050-A1 NEW DERIVATIVES OF PYRROLYLTRIAZINE TOGETHER WITH METHODS FOR OBTAINING THEM AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2008-02-27 EP disclosed
WO-2006128920-A1 NEW DERIVATIVES OF PYRROLYLTRIAZINE TOGETHER WITH METHODS FOR OBTAINING THEM AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2006-12-07 WO disclosed
WO-2006128791-A1 NEW DERIVATIVES OF PYRROLYLTRIAZINE TOGETHER WITH METHODS FOR OBTAINING THEM AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2006-12-07 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 L3MBTL1 4788/4885MAPT 922/4885JAK2 3132/4885
US-20080253978-A1 Derivatives of Pyrrolyltriazine Together with Methods for Obtaining Them and Their Use as Protecting Agents Uv Radiation UNG, TPMT, PPOX L3MBTL1 4819/4885MAPT 2660/4885JAK2 4477/4885

“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.