Sugi Predict

Sugi Predict / Compounds / SCHEMBL3218461

SCHEMBL3218461

SCHEMBL3218461

c1ccc(Cn2cccc2-c2nc(Nc3ccc(-c4cn5ccccc5n4)cc3)nc(Nc3ccc(-c4cn5ccccc5n4)cc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 14/20 0.47
▸ NPC1 O15118 12/20 0.47
▸ KDM4E B2RXH2 13/20 0.47
▸ MAPT P10636 5/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ SMN1; SMN2 Q16637 9/20 0.46
▸ ALDH1A1 P00352 7/20 0.46
▸ HPGD P15428 6/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PKM P14618 4/20 0.45
▸ POLB P06746 3/20 0.44
▸ GFER P55789 4/20 0.44
▸ ADRB2 P07550 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ NFKB1 P19838 1/20 0.41

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
SCHEMBL3219439 0.85 DHFR (0.43) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL14025439 0.82 KCNH3 (0.49) RAB9AKDM4EMAPTMAPK1SMN1; SMN2
SCHEMBL3226446 0.77 KCNH3 (0.40) MAPTMAPK1NPSR1ALDH1A1KMT2A
SCHEMBL3226440 0.77 KCNH3 (0.40) MAPTMAPK1NPSR1ALDH1A1KMT2A
SCHEMBL3222241 0.76 MAPK13 (0.44) RAB9ANPC1KDM4EMAPTMAPK1
SCHEMBL3230531 0.76 L3MBTL1 (0.43) RAB9ANPC1KDM4EMAPTMAPK1
SCHEMBL30366944 0.76 RAB9A (0.69) RAB9ANPC1KDM4EMAPTMAPK1
SCHEMBL3209031 0.75 MKNK1 (0.43) MAPTKMT2AMEN1PKM
SCHEMBL3217193 0.71 AURKA (0.39) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL13325909 0.70 RAB9A (0.83) RAB9ANPC1KDM4EMAPTMAPK1

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 19 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
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 claimed
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 claimed
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 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 RAB9A 3821/4885NPC1 3790/4885KDM4E 3725/4885
US-20080253978-A1 Derivatives of Pyrrolyltriazine Together with Methods for Obtaining Them and Their Use as Protecting Agents Uv Radiation UNG, TPMT, PPOX RAB9A 1809/4885NPC1 1774/4885KDM4E 3135/4885

“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.