SCHEMBL2814618

SCHEMBL2814618

O=C(O)c1nc2ccncc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 2/20 0.54
▸ KDM4E B2RXH2 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NAMPT P43490 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ HPSE Q9Y251 1/20 0.49
▸ PKM P14618 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ METAP1 P53582 2/20 0.44
▸ METAP2 P50579 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ RPS6KA5 O75582 1/20 0.41
▸ CLK2 P49760 1/20 0.40
▸ CLK3 P49761 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ DAO P14920 1/20 0.40
▸ PDE5A O76074 1/20 0.40

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
SCHEMBL24112428 0.84 KDM4E (0.49) PIN1KDM4ESMN1; SMN2NAMPTALDH1A1
SCHEMBL23835762 0.80 KDM4E (0.49) PIN1KDM4ESMN1; SMN2NAMPTALDH1A1
SCHEMBL24450252 0.80 SMN1; SMN2 (0.52) KDM4ESMN1; SMN2NAMPTALDH1A1HPSE
SCHEMBL23836090 0.77 KDM5A (0.51) KDM4ESMN1; SMN2NAMPTALDH1A1HPSE
SCHEMBL25789859 0.77 NAMPT (0.58) KDM4ESMN1; SMN2NAMPTHPSE
SCHEMBL160155 0.76 AURKA (0.61) PIN1KDM4ESMN1; SMN2ALDH1A1PKM
SCHEMBL29414293 0.76 AURKA (0.61) PIN1KDM4ESMN1; SMN2ALDH1A1PKM
SCHEMBL5261395 0.75 KDM4C (0.57) KDM4E
Water SCHEMBL16239370 0.74 AURKA (0.59) PIN1KDM4ESMN1; SMN2ALDH1A1PKM
Hydrochloric Acid SCHEMBL3808279 0.74 AURKA (0.59) PIN1KDM4ESMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2831085-A2 EMM-19: NOVEL ZEOLITIC IMIDAZOLATE FRAMEWORK MATERIAL, METHODS FOR MAKING SAME, AND USES THEREOF ExxonMobil Research and Engineering Company (US) 2015-02-04 — — EP claimed
EP-2831086-A2 LINKER EXCHANGE IN ZEOLITIC IMIDAZOLATE FRAMEWORKS ExxonMobil Research and Engineering Company (US) 2015-02-04 — — EP claimed
US-8920541-B2 Linker exchange in zeolitic imidazolate frameworks EXXONMOBILE RESEARCH AND ENGINEERING COMPANY (US) 2014-12-30 — — US claimed
US-8907102-B2 EMM19 novel zeolitic imidazolate framework material, methods for making same, and uses thereof EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-12-09 — — US claimed
US-8636969-B2 EMM19star novel zeolitic imidazolate framework material, methods for making same, and uses thereof EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-01-28 — — US claimed
US-20130296568-A1 EMM19 NOVEL ZEOLITIC IMIDAZOLATE FRAMEWORK MATERIAL, METHODS FOR MAKING SAME, AND USES THEREOF EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2013-11-07 — — US claimed
US-20130259792-A1 EMM19star NOVEL ZEOLITIC IMIDAZOLATE FRAMEWORK MATERIAL, METHODS FOR MAKING SAME, AND USES THEREOF EXXONMOBIL RESEARCH & ENGINEERING COMPANY (US) 2013-10-03 — — US claimed
US-20130259783-A1 LINKER EXCHANGE IN ZEOLITIC IMIDAZOLATE FRAMEWORKS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-10-03 — — US claimed
WO-2013148975-A2 EMM-19: NOVEL ZEOLITIC IMIDAZOLATE FRAMEWORK MATERIAL, METHODS FOR MAKING SAME, AND USES THEREOF EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-10-03 — — WO claimed
WO-2013148982-A2 LINKER EXCHANGE IN ZEOLITIC IMIDAZOLATE FRAMEWORKS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-10-03 — — WO claimed
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 — — US claimed
US-10767027-B1 Magnetically-recoverable catalysts for depolymerization NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2020-09-08 — — US disclosed
EP-2831087-A2 ZEOLITIC IMIDAZOLATE FRAMEWORK MATERIAL, METHODS FOR MAKING SAME, AND USES THEREOF ExxonMobil Research and Engineering Company (US) 2015-02-04 — — EP disclosed
EP-2831086-A2 LINKER EXCHANGE IN ZEOLITIC IMIDAZOLATE FRAMEWORKS ExxonMobil Research and Engineering Company (US) 2015-02-04 — — EP disclosed
EP-2831085-A2 EMM-19: NOVEL ZEOLITIC IMIDAZOLATE FRAMEWORK MATERIAL, METHODS FOR MAKING SAME, AND USES THEREOF ExxonMobil Research and Engineering Company (US) 2015-02-04 — — EP disclosed
WO-2008140788-A1 ADSORPTIVE GAS SEPARATION OF MULTI-COMPONENT GASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-20 — — WO disclosed
EP-1988996-A2 PREPARATION OF FUNCTIONALIZED ZEOLITIC FRAMEWORKS The Regents of the University of Michigan (US) 2008-11-12 — — EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 — — WO disclosed
WO-2007101241-A2 PREPARATION OF FUNCTIONALIZED ZEOLITIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-09-07 — — WO disclosed
US-20070202038-A1 PREPARATION OF FUNCTIONALIZED ZEOLITIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-08-30 — — 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 (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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG PIN1 3949/4885KDM4E 1395/4885SMN1; SMN2 4686/4885
US-20070202038-A1 PREPARATION OF FUNCTIONALIZED ZEOLITIC FRAMEWORKS SOD1, HNRNPF, GTF2F1 PIN1 1360/4885KDM4E 1297/4885SMN1; SMN2 2210/4885

“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.

Send feedback