SCHEMBL9975858

SCHEMBL9975858

O=C(Nc1ccccn1)c1ccc(I)cc1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.83
NPC1 O15118 11/20 0.83
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
F2 P00734 1/20 0.66
SMN1; SMN2 Q16637 5/20 0.61
NPSR1 Q6W5P4 3/20 0.59
LMNA P02545 2/20 0.59
CHRNB2 P17787 1/20 0.58
CHRNB4 P30926 1/20 0.58
CHRNA3 P32297 1/20 0.58
CHRNA4 P43681 1/20 0.58
PKM P14618 5/20 0.58
TP53 P04637 2/20 0.57
USP2 O75604 1/20 0.57
ALOX15 P16050 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL997866 0.86 RAB9A (0.89) RAB9ANPC1MEN1KMT2AF2
SCHEMBL29366822 0.86 RAB9A (0.89) RAB9ANPC1MEN1KMT2AF2
SCHEMBL5011704 0.85 RAB9A (0.86) RAB9ANPC1MEN1KMT2AF2
SCHEMBL10978860 0.85 RAB9A (0.86) RAB9ANPC1MEN1KMT2AF2
SCHEMBL16583895 0.85 RAB9A (0.86) RAB9ANPC1MEN1KMT2AF2
Hydrochloric Acid SCHEMBL27681799 0.84 RAB9A (0.86) RAB9ANPC1MEN1KMT2AF2
SCHEMBL7189774 0.84 RAB9A (0.86) RAB9ANPC1MEN1KMT2AF2
SCHEMBL16589423 0.83 RAB9A (0.83) RAB9ANPC1MEN1KMT2AF2
SCHEMBL3365984 0.83 RAB9A (0.83) RAB9ANPC1MEN1KMT2AF2
SCHEMBL22593920 0.83 RAB9A (0.83) RAB9ANPC1MEN1KMT2AF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3392240-B1 USE OF N-(PYRIDIN-2-YL)-AMIDE AND PHENYL-UREA DERIVATIVES FOR TERAHERTZ TAGGING APPLICATIONS COUNCIL SCIENT IND RES (IN) 2020-06-03 EP claimed
US-10464929-B2 Organic molecules for terahertz tagging applications COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-11-05 US claimed
EP-3392240-A1 USE OF N-(PYRIDIN-2-YL)-AMIDE AND PHENYL-UREA DERIVATIVES FOR TERAHERTZ TAGGING APPLICATIONS Council Of Scientific & Industrial Research (IN) 2018-10-24 EP claimed
EP-3094621-A1 ORGANIC MOLECULES FOR TERAHERTZ TAGGING APPLICATIONS Council of Scientific & Industrial Research (IN) 2016-11-23 EP claimed
US-20160335827-A1 ORGANIC MOLECULES FOR TERAHERTZ TAGGING APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-17 US claimed
WO-2015104722-A1 ORGANIC MOLECULES FOR TERAHERTZ TAGGING APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-07-16 WO claimed
WO-2023104035-A1 SUBSTITUTED MONOCYCLIC OR BICYCLIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 英矽智能科技(上海)有限公司 2023-06-15 WO disclosed
US-11161851-B2 Processes to produce acalabrutinib SUZHOU PENGXU PHARMATECH CO. LTD. (CN) 2021-11-02 US disclosed
US-20200354368-A1 PROCESSES TO PRODUCE ACALABRUTINIB SUZHOU PENGXU PHARMATECH CO., LTD. (CN) 2020-11-12 US disclosed
EP-3392240-B1 USE OF N-(PYRIDIN-2-YL)-AMIDE AND PHENYL-UREA DERIVATIVES FOR TERAHERTZ TAGGING APPLICATIONS COUNCIL SCIENT IND RES (IN) 2020-06-03 EP disclosed
EP-3392240-B1 USE OF N-(PYRIDIN-2-YL)-AMIDE AND PHENYL-UREA DERIVATIVES FOR TERAHERTZ TAGGING APPLICATIONS COUNCIL SCIENT IND RES (IN) 2020-06-03 EP disclosed
US-10464929-B2 Organic molecules for terahertz tagging applications COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-11-05 US disclosed
US-10464929-B2 Organic molecules for terahertz tagging applications COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-11-05 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
WO-2012083105-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-06-21 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 (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-11161851-B2 Processes to produce acalabrutinib BTK, LYN, SYK RAB9A 1496/4885NPC1 2365/4885MEN1 3854/4885
US-20160335827-A1 ORGANIC MOLECULES FOR TERAHERTZ TAGGING APPLICATIONS WIZ, CRYZ, NAA15 RAB9A 4203/4885NPC1 4342/4885MEN1 2255/4885
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E RAB9A 2683/4885NPC1 658/4885MEN1 4122/4885
US-10464929-B2 Organic molecules for terahertz tagging applications WIZ, CRYZ, NAA15 RAB9A 4203/4885NPC1 4342/4885MEN1 2255/4885
US-20200354368-A1 PROCESSES TO PRODUCE ACALABRUTINIB BTK, LYN, SYK RAB9A 1496/4885NPC1 2365/4885MEN1 3854/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E RAB9A 2683/4885NPC1 658/4885MEN1 4122/4885

“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.