SCHEMBL386239

SCHEMBL386239

O=c1[c]nc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAUR Q03405 1/20 0.44
KDM4E B2RXH2 8/20 0.43
NPC1 O15118 6/20 0.43
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 5/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ABCB11 O95342 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MASP2 O00187 1/20 0.41
MEN1 O00255 1/20 0.41
NUDT1 P36639 1/20 0.41
KMT2A Q03164 1/20 0.41
AOC3 Q16853 1/20 0.41
BTK Q06187 1/20 0.41
KHK P50053 1/20 0.41
KDR P35968 2/20 0.40
GRIN2D O15399 1/20 0.39

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
SCHEMBL2166110 0.77 ALDH1A1 (0.48) PLAURKDM4ENPC1ALDH1A1RAB9A
SCHEMBL14974362 0.76 KDM4E (0.47) KDM4EALDH1A1HSD17B10SMN1; SMN2MEN1
SCHEMBL2167170 0.75 ALDH1A1 (0.43) PLAURKDM4ENPC1ALDH1A1RAB9A
SCHEMBL2165024 0.72 AURKA (0.42) ALDH1A1HSD17B10MEN1NUDT1KMT2A
SCHEMBL7977958 0.71 NUDT1 (0.46) KDM4ENUDT1FGFR1AURKA
SCHEMBL16050353 0.68 FABP6 (0.44) KDM4ENPC1ALDH1A1RAB9AHSD17B10
SCHEMBL30170557 0.65 PLAUR (0.61) PLAURKDM4ENPC1ALDH1A1RAB9A
SCHEMBL1029154 0.65 PLAUR (0.61) PLAURKDM4ENPC1ALDH1A1RAB9A
SCHEMBL586416 0.65 PLAUR (0.47) PLAURKDM4ENPC1ALDH1A1RAB9A
SCHEMBL585626 0.64 NPC1 (0.60) KDM4ENPC1ALDH1A1RAB9AHSD17B10

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 581 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105980386-A Pyrazolo compounds and uses thereof 基因泰克公司 2016-09-28 CN claimed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 US claimed
EP-2970307-A1 PYRAZOLO COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2016-01-20 EP claimed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 WO claimed
EP-1454903-B9 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2011-10-05 EP claimed
EP-1454903-B1 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2010-09-08 EP claimed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US claimed
US-20080207706-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD (JP) 2008-08-28 US claimed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP claimed
US-7329680-B2 Heterocycle substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-02-12 US claimed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US claimed
US-20020010331-A1 Reacting succinic diester with nitrile CLARIANT GMBH 2002-01-24 US claimed
EP-1162240-A2 Process to manufacture diketopyrrolopyrrole pigments Clariant International Ltd. (CH) 2001-12-12 EP claimed
WO-2001092420-A2 PERYLENE DYES WITH PERSISTENT FLUORESCENCE CAUSED BY STERIC INHIBITION OF AGGREGATION RADIANT COLOR N.V. (BE) 2001-12-06 WO claimed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 US claimed
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US claimed
US-5889025-A Antidiabetic compounds having hypolipidaemic, antihypertensive properties, process for their preparation and pharmaceutical compositions containing them REDDY'S RESEARCH FOUNDATION (IN) 1999-03-30 US claimed
US-5258511-A Pyrazoloazepinones and methods of using such pyrazoloazepinones to dye synthetic fibers and to pigment pastes, paints, printing inks, colored paper and colored macromolecular substances BAYER AKTIENGESELLSCHAFT (DE) 1993-11-02 US claimed
EP-0446748-A2 Use of perylenedyes for the preparation of write, print or copying materials RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1991-09-18 EP claimed
EP-0358148-A2 Solid solutions of azomethine pigments CIBA-GEIGY AG (CH) 1990-03-14 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS PLAUR 2928/4885KDM4E 2890/4885NPC1 2959/4885
US-20020010331-A1 Reacting succinic diester with nitrile SDHA, QDPR, SDHB PLAUR 4782/4885KDM4E 2341/4885NPC1 4347/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS PLAUR 2905/4885KDM4E 2928/4885NPC1 2366/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B PLAUR 4312/4885KDM4E 12/4885NPC1 2336/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 PLAUR 2938/4885KDM4E 2891/4885NPC1 2516/4885
US-20080207706-A1 THIADIAZOLINE DERIVATIVE BRWD1, RB1, ARG2 PLAUR 4414/4885KDM4E 3209/4885NPC1 3361/4885

“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.