SCHEMBL807737

SCHEMBL807737

CN1CCN(c2cc(N)ncn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.59
HRH3 Q9Y5N1 3/20 0.59
CYP1A2 P05177 5/20 0.51
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HRH2 P25021 1/20 0.49
MAP4K4 O95819 1/20 0.49

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
SCHEMBL24319168 0.86 HRH4 (0.65) HRH4HRH3CYP1A2ALDH1A1HSD17B10
SCHEMBL30579439 0.82 SMN1; SMN2 (0.50) HRH4TSHRMAP4K4
SCHEMBL807296 0.82 SMN1; SMN2 (0.50) HRH4TSHRMAP4K4
SCHEMBL19004851 0.82 AKT1 (0.47) HRH4CYP2C19TSHRMAP4K4
SCHEMBL4953660 0.81 HRH4 (0.55) HRH4HRH3CYP1A2ALDH1A1HSD17B10
SCHEMBL5889085 0.81 SMN1; SMN2 (0.53) HRH4CYP1A2ALDH1A1TSHRMAP4K4
SCHEMBL1775874 0.81 HRH4 (0.64) HRH4HRH3CYP1A2ALDH1A1HSD17B10
SCHEMBL2075583 0.81 LRRK2 (0.46) HRH4HRH3ALDH1A1KDM4EMAPT
SCHEMBL2075530 0.81 KIT (0.48) HRH3ALDH1A1KDM4EMAPT
SCHEMBL6803952 0.80 KDR (0.51) HRH4ALOX15TSHR

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 16 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
CN-111269215-B Nitrogen-containing heterocyclic organic compound and preparation method and application thereof 中科利健制药(广州)有限公司 2021-10-26 CN disclosed
CN-111269215-A Nitrogen-containing heterocyclic organic compound and preparation method and application thereof 中科利健制药(广州)有限公司 2020-06-12 CN disclosed
EP-1966162-B1 PYRIMIDINE DERIVATIVES ZIARCO PHARMA LTD (GB) 2017-03-15 EP disclosed
CN-105418592-A Substituted pyrimidine compounds and application thereof UNIV EAST CHINA SCIENCE & TECH 2016-03-23 CN disclosed
WO-2015091584-A1 THIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS TYK2 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 WO disclosed
WO-2013041539-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 WO disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 WO disclosed
US-20100280012-A1 AZAAZULENE COMPOUNDS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-11-04 US 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
EP-1341540-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2003-09-10 EP disclosed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 US disclosed
WO-2002045652-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-06-13 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 (4 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 HRH4 4689/4885HRH3 4350/4885CYP1A2 4600/4885
US-20100280012-A1 AZAAZULENE COMPOUNDS AZI2, CYP51A1, CYP3A5 HRH4 2554/4885HRH3 3772/4885CYP1A2 34/4885
US-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 HRH4 4015/4885HRH3 3514/4885CYP1A2 4812/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 HRH4 4015/4885HRH3 3514/4885CYP1A2 4812/4885

“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.