SCHEMBL458638

SCHEMBL458638

NC(=S)NNc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.56
CA5A P35218 1/20 0.56
MAPT P10636 8/20 0.53
GAA P10253 8/20 0.53
GLA P06280 1/20 0.53
ALDH1A1 P00352 7/20 0.49
ALOX12 P18054 3/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
LMNA P02545 3/20 0.48
IDO1 P14902 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL667827 0.89 CA2 (0.67) CA2CA5AMAPTGAAGLA
SCHEMBL28916359 0.82 CA2 (0.60) CA2CA5AMAPTGAAGLA
SCHEMBL28049803 0.78 CA2 (0.56) CA2CA5AMAPTGAAGLA
SCHEMBL7043304 0.78 GAA (0.64) CA2CA5AMAPTGAAGLA
SCHEMBL1520890 0.78 GAA (0.61) CA2CA5AMAPTGAAGLA
SCHEMBL10514852 0.78 ALDH1A1 (0.47) MAPTGAAALDH1A1ALOX12HPGD
SCHEMBL6156958 0.78 ALDH1A1 (0.63) CA2MAPTGAAALDH1A1ALOX12
SCHEMBL6680813 0.78 CA2 (0.56) CA2CA5AMAPTGAAGLA
SCHEMBL145719 0.77 IDO1 (0.63) CA2MAPTGAAALDH1A1ALOX12
SCHEMBL163118 0.77 ALDH1A1 (0.61) CA2CA5AMAPTGAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005092873-A2 THIADIAZOLES FOR TREATMENT OF CANCER OR NEUROLOGICAL DISEASE UNIWERSYTET MARII CURIE SKLODOWSKIEJ (PL) 2005-10-06 WO claimed
WO-2024124297-A1 ANTI-CANCER COMPOUNDS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2024-06-20 WO disclosed
US-11708366-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof NOVARTIS AG (CH) 2023-07-25 US disclosed
US-11708366-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof NOVARTIS AG (CH) 2023-07-25 US disclosed
US-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-02-17 US disclosed
CN-105111192-B Triazole Mannich base class compound and its preparation and application containing trifluoromethyl and piperazine 南开大学 2019-03-05 CN disclosed
CN-106854213-B Lavo-ofloxacin aldehyde contracting 4- arylamino thiourea derivatives and its preparation method and application 郑州工业应用技术学院 2018-11-23 CN disclosed
US-10017496-B2 Uracil derivatives as AXL and c-MET kinase inhibitors IGNYTA, INC. (US) 2018-07-10 US disclosed
US-20180148447-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND METHODS OF THEIR USE IGNYTA, INC. (US) 2018-05-31 US disclosed
CN-108047201-A Uracil derivative as AXL and c-MET kinase inhibitors 亚尼塔公司 2018-05-18 CN disclosed
WO-2015100117-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND METHODS OF THEIR USE CEPHALON, INC. (US) 2015-07-02 WO disclosed
US-9029538-B2 Uracil derivatives as AXL and c-MET kinase inhibitors IGNYTA, INC. (US) 2015-05-12 US disclosed
EP-2780338-A1 URACIL DERIVATIVES AS AXL AND C-MET KINASE INHIBITORS Cephalon, Inc. (US) 2014-09-24 EP disclosed
US-20140275077-A1 URACIL DERIVATIVES AS AXL AND C-MET KINASE INHIBITORS CEPHALON, INC. (US) 2014-09-18 US disclosed
CN-103958497-A Uracil derivatives as AXL and c-MET kinase inhibitors CEPHALON INC 2014-07-30 CN disclosed
WO-2013074633-A1 URACIL DERIVATIVES AS AXL AND C-MET KINASE INHIBITORS CEPHALON, INC. (US) 2013-05-23 WO disclosed
WO-2012033601-A1 THIOSEMICARBAZONES WITH MDR1 - INVERSE ACTIVITY THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2012-03-15 WO disclosed
EP-2240175-A2 COMPOUNDS WITH MDR1-INVERSE ACTIVITY The Government of the United States of America as represented by the Secretary of the Department of Health and Human Services (US) 2010-10-20 EP disclosed
WO-2009102433-A2 COMPOUNDS WITH MDR1-INVERSE ACTIVITY THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-08-20 WO disclosed
WO-2005092873-A2 THIADIAZOLES FOR TREATMENT OF CANCER OR NEUROLOGICAL DISEASE UNIWERSYTET MARII CURIE SKLODOWSKIEJ (PL) 2005-10-06 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 (5 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-11708366-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof REN, NR3C2, PKD1 CA2 1093/4885CA5A 1375/4885MAPT 4450/4885
US-20180148447-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND METHODS OF THEIR USE AXL, FLT3, ERBB2 CA2 2357/4885CA5A 1787/4885MAPT 2412/4885
US-20140275077-A1 URACIL DERIVATIVES AS AXL AND C-MET KINASE INHIBITORS AXL, RET, BRAF CA2 2474/4885CA5A 3576/4885MAPT 2880/4885
US-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF REN, NR3C2, PKD1 CA2 1093/4885CA5A 1375/4885MAPT 4450/4885
US-10017496-B2 Uracil derivatives as AXL and c-MET kinase inhibitors AXL, RET, FLT3 CA2 2372/4885CA5A 3485/4885MAPT 2920/4885

“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.