SCHEMBL13508334

SCHEMBL13508334

CC(C)(C)/C=C/c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP1A2 P05177 2/20 0.47
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
HBB P68871 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
JUN P05412 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44

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
SCHEMBL9329319 0.85 ALDH1A1 (0.48) MAPTNPC1SMN1; SMN2RAB9AHPGD
SCHEMBL3652142 0.76 JUN (0.45) MAPTNPC1SMN1; SMN2RAB9AHPGD
SCHEMBL138489 0.76 MAPT (0.61) MAPTNPC1SMN1; SMN2RAB9AHPGD
SCHEMBL107198 0.76 MAPT (0.61) MAPTNPC1SMN1; SMN2RAB9AHPGD
SCHEMBL28939716 0.75 CYP2C19 (0.55) MAPTSMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL6286942 0.75 CYP2C19 (0.55) MAPTSMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL3259240 0.75 CYP2C19 (0.55) MAPTSMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL26917 0.75 CYP2C19 (0.55) MAPTSMN1; SMN2CYP1A2MEN1KMT2A
Benzene SCHEMBL27345987 0.75 CYP2C19 (0.55) MAPTSMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL11787398 0.74 CYP11B1 (0.59) MAPTNPC1RAB9AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371420-A1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF PURDUE RESEARCH FOUNDATION 2021-12-02 US disclosed
US-11040973-B2 Inhibitors of kinase networks and uses thereof PURDUE RESEARCH FOUNDATION 2021-06-22 US disclosed
US-20200308173-A1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF PURDUE RESEARCH FOUNDATION 2020-10-01 US disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-9101628-B2 Methods and composition of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-08-11 US disclosed
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 US disclosed
US-20130225581-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2013-08-29 US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US 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 (8 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-20200308173-A1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF KDM1B, JMJD6, KDM1A MAPT 1165/4885NPC1 4151/4885SMN1; SMN2 2311/4885
US-11040973-B2 Inhibitors of kinase networks and uses thereof KDM1B, JMJD6, KDM1A MAPT 1165/4885NPC1 4151/4885SMN1; SMN2 2311/4885
US-20210371420-A1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF KDM1B, JMJD6, KDM1A MAPT 1165/4885NPC1 4151/4885SMN1; SMN2 2311/4885
US-20130225581-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE FGFR3, FGFR1, FGFR4 MAPT 3445/4885NPC1 3448/4885SMN1; SMN2 2987/4885
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 MAPT 2745/4885NPC1 412/4885SMN1; SMN2 1409/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 MAPT 2745/4885NPC1 412/4885SMN1; SMN2 1409/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 MAPT 4638/4885NPC1 847/4885SMN1; SMN2 3111/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 MAPT 4569/4885NPC1 682/4885SMN1; SMN2 2247/4885

“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.