SCHEMBL3226440

SCHEMBL3226440

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.40
DDX3X O00571 3/20 0.39
DHFR P00374 4/20 0.37
ADORA2A P29274 1/20 0.36
STAT6 P42226 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL3226446 1.00 KCNH3 (0.40) KCNH3DDX3XDHFRADORA2ASTAT6
SCHEMBL14025439 0.89 KCNH3 (0.49) KCNH3DDX3XDHFRMEN1MAPT
SCHEMBL3219439 0.86 DHFR (0.43) KCNH3DHFRADORA2ASTAT6MEN1
SCHEMBL3219351 0.83 RAB9A (0.42) DDX3XMEN1MAPTKMT2AL3MBTL1
SCHEMBL3222241 0.82 MAPK13 (0.44) KCNH3MAPTMAPK1HTT
SCHEMBL3230531 0.82 L3MBTL1 (0.43) KCNH3DHFRMEN1MAPTKMT2A
SCHEMBL3209031 0.81 MKNK1 (0.43) KCNH3DHFRADORA2ASTAT6MEN1
SCHEMBL3218461 0.77 RAB9A (0.47) MEN1MAPTKMT2AMAPK1ALDH1A1
SCHEMBL3217193 0.77 AURKA (0.39) KCNH3DHFRSTAT6MAPTALDH1A1
SCHEMBL3226231 0.74 MAPT (0.46) MEN1MAPTKMT2AMAPK1ALDH1A1

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
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
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 KCNH3 4457/4885DDX3X 4270/4885DHFR 1281/4885
US-20080253978-A1 Derivatives of Pyrrolyltriazine Together with Methods for Obtaining Them and Their Use as Protecting Agents Uv Radiation UNG, TPMT, PPOX KCNH3 257/4885DDX3X 1718/4885DHFR 29/4885

“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.