SCHEMBL5889085

SCHEMBL5889085

Nc1cc(N2CCCCC2)ncn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
RAB9A P51151 2/20 0.53
TSHR P16473 2/20 0.53
NPC1 O15118 1/20 0.53
RECQL P46063 1/20 0.53
MAP4K4 O95819 2/20 0.46
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
AKT1 P31749 1/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
DPP4 P27487 2/20 0.44
HRH4 Q9H3N8 2/20 0.44
ELOVL1 Q9BW60 3/20 0.43
ALDH1A1 P00352 1/20 0.41
NUDT1 P36639 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL30579439 0.98 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ATSHRNPC1RECQL
SCHEMBL807296 0.98 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ATSHRNPC1RECQL
SCHEMBL19004851 0.94 AKT1 (0.47) SMN1; SMN2RAB9ATSHRNPC1RECQL
SCHEMBL19548104 0.85 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ATSHRNPC1RECQL
SCHEMBL30828973 0.83 CYP2C19 (0.53) SMN1; SMN2NPC1JAK2JAK3CRHBP
SCHEMBL26647473 0.83 CYP2C19 (0.53) SMN1; SMN2NPC1JAK2JAK3CRHBP
SCHEMBL6803952 0.83 KDR (0.51) SMN1; SMN2RAB9ATSHRNPC1RECQL
SCHEMBL5889171 0.81 KDR (0.54) TSHRMAP4K4AKT1DPP4HRH4
SCHEMBL10831207 0.81 AKT1 (0.44) SMN1; SMN2RAB9ATSHRNPC1RECQL
SCHEMBL807666 0.81 CYP2C19 (0.58) SMN1; SMN2NPC1JAK2JAK3CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110831600-B Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2023-10-17 CN disclosed
US-11612604-B2 Methods of treating cancer with PLK4 inhibitors LUDWIG INSTITUTE FOR CANCER RESEARCH LTD (CH) 2023-03-28 US disclosed
WO-2021032582-A1 PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2021-02-25 WO disclosed
US-20190240195-A1 METHODS OF TREATING MUSCULAR DYSTROPHY Board of Regents of the Nevada System of Higher Education, on behalf of the Univ of Nevada, Reno (US) 2019-08-08 US disclosed
US-10206903-B2 Methods of treating muscular dystrophy BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2019-02-19 US disclosed
US-9980943-B2 Methods of treating muscular dystrophy BOARD OF REGENTS OF THE NEVADA SYSTEMS OF HIGHER EDUCATION ON BEHALF OF THE NEVADA, RENO (US) 2018-05-29 US disclosed
US-9980943-B2 Methods of treating muscular dystrophy BOARD OF REGENTS OF THE NEVADA SYSTEMS OF HIGHER EDUCATION ON BEHALF OF THE NEVADA, RENO (US) 2018-05-29 US disclosed
EP-3283482-A1 PLK4 INHIBITORS Ludwig Institute for Cancer Research Ltd (CH) 2018-02-21 EP disclosed
US-20170340606-A1 METHODS OF TREATING MUSCULAR DYSTROPHY BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, (US) 2017-11-30 US disclosed
US-20170340606-A1 METHODS OF TREATING MUSCULAR DYSTROPHY BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, (US) 2017-11-30 US disclosed
US-9707210-B2 Methods of treating muscular dystrophy BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2017-07-18 US disclosed
US-9707210-B2 Methods of treating muscular dystrophy BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2017-07-18 US disclosed
WO-2016166604-A1 PLK4 INHIBITORS LUDWIG INSTITUTE FOR CANCER RESEARCH LTD (CH) 2016-10-20 WO disclosed
US-20160030390-A1 METHODS OF TREATING MUSCULAR DYSTROPHY Board of Regents of the Nevada System of Higher Ed ucation on behalf of the University of Nevada Ren (US) 2016-02-04 US disclosed
US-20160030390-A1 METHODS OF TREATING MUSCULAR DYSTROPHY Board of Regents of the Nevada System of Higher Ed ucation on behalf of the University of Nevada Ren (US) 2016-02-04 US disclosed
WO-2014144606-A2 METHODS OF TREATING MUSCULAR DYSTROPHY BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2014-09-18 WO disclosed
US-7115597-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-10-03 US disclosed
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 US disclosed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 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 (7 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-11612604-B2 Methods of treating cancer with PLK4 inhibitors PLK4, PLK2, PLK3 SMN1; SMN2 3073/4885RAB9A 3126/4885TSHR 4254/4885
US-20190240195-A1 METHODS OF TREATING MUSCULAR DYSTROPHY ITGB7, ITGA2B, ITGB1 SMN1; SMN2 22/4885RAB9A 1131/4885TSHR 2959/4885
US-10206903-B2 Methods of treating muscular dystrophy ITGB7, ITGA2B, ITGB1 SMN1; SMN2 22/4885RAB9A 1131/4885TSHR 2959/4885
US-20170340606-A1 METHODS OF TREATING MUSCULAR DYSTROPHY ITGB7, ITGA2B, ITGB1 SMN1; SMN2 22/4885RAB9A 1131/4885TSHR 2959/4885
US-20160030390-A1 METHODS OF TREATING MUSCULAR DYSTROPHY ITGB7, ITGA2B, ITGB1 SMN1; SMN2 22/4885RAB9A 1131/4885TSHR 2959/4885
US-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 SMN1; SMN2 4473/4885RAB9A 2382/4885TSHR 1987/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 SMN1; SMN2 4473/4885RAB9A 2382/4885TSHR 1987/4885

“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.