SCHEMBL314908

SCHEMBL314908

O=Cc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
ALDH1A1 P00352 1/20 0.34
CYP2A6 P11509 1/20 0.34
ATM Q13315 1/20 0.33
NR1I2 O75469 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
TBXA2R P21731 2/20 0.33
CCKBR P32239 2/20 0.33
OPRK1 P41145 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 2/20 0.33
NR1H4 Q96RI1 2/20 0.33
MEN1 O00255 1/20 0.33
SLC22A1 O15245 1/20 0.33
KCNN4 O15554 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
TRPM2 O94759 1/20 0.33
ABCB11 O95342 1/20 0.33

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
SCHEMBL23703963 0.84 LMNA (0.38) CYP11B1CYP11B2ALDH1A1NR1I2ADORA3
SCHEMBL28267799 0.81 ALDH1A1 (0.42) CYP11B1CYP11B2ALDH1A1TSHR
SCHEMBL10414515 0.80 TBXAS1 (0.41) CYP11B1CYP11B2ALDH1A1MEN1CA2
SCHEMBL8370307 0.80 TBXAS1 (0.41) CYP11B1CYP11B2ALDH1A1MEN1CA2
SCHEMBL19209059 0.79 CYP11B1 (0.33) CYP11B1CYP11B2ALDH1A1MAPK1TDP1
SCHEMBL19209058 0.79 CYP11B1 (0.33) CYP11B1CYP11B2ALDH1A1MAPK1TDP1
SCHEMBL4389881 0.78 CYP11B1 (0.36) CYP11B1CYP11B2NR1I2ADORA3TBXA2R
SCHEMBL4389878 0.78 CYP11B1 (0.36) CYP11B1CYP11B2NR1I2ADORA3TBXA2R
SCHEMBL6071929 0.76 CYP11B1 (0.35) CYP11B1CYP11B2
SCHEMBL23704247 0.76 CYP11B1 (0.35) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024411-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2026-05-19 CN disclosed
US-20240383915-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2024-11-21 US disclosed
EP-4320132-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-02-14 EP disclosed
CN-117083279-A Oxazepine compounds and their use in the treatment of cancer 基因泰克公司 2023-11-17 CN disclosed
CN-117024411-A Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-11-10 CN disclosed
CN-110709392-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed
US-20230287021-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING PROTEGO BIOPHARMA, INC. 2023-09-14 US disclosed
US-20230287021-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING PROTEGO BIOPHARMA, INC. 2023-09-14 US disclosed
US-11566003-B2 Isoquinolines as inhibitors of HPK1 GENENTECH, INC. (US) 2023-01-31 US disclosed
EP-4097092-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING Protego Biopharma, Inc. (US) 2022-12-07 EP disclosed
WO-2008141312-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS ALLERGAN, INC. (US) 2008-11-20 WO disclosed
US-20060167269-A1 Compounds and methods for the inhibition of compounds cruzi NATIONAL INSTITUTES OF HEALTH 2006-07-27 US disclosed
US-20050049245-A1 Heteroaryl-ethanolamine derivatives as antiviral agents PHARMACIA & UPJOHN COMPANY 2005-03-03 US disclosed
US-20050043544-A1 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 US disclosed
WO-2004106345-A2 HETEROARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-12-09 WO disclosed
EP-1471056-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME Takeda Chemical Industries, Ltd. (JP) 2004-10-27 EP disclosed
US-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
WO-2003006012-A1 COMPOUNDS AND METHODS FOR THE INHIBITION OF TRYPANOSOMA CRUZ I YALE UNIVERSITY (US) 2003-01-23 WO disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 US disclosed
EP-0675112-A1 Imidazole-containing inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1995-10-04 EP 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-20230287021-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING TTR, TTPA, TNNC1 CYP11B1 3802/4885CYP11B2 3959/4885ALDH1A1 3122/4885
US-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 CYP11B1 1686/4885CYP11B2 1892/4885ALDH1A1 1121/4885
US-20060167269-A1 Compounds and methods for the inhibition of compounds cruzi CBR3, CBR1, C1R CYP11B1 207/4885CYP11B2 320/4885ALDH1A1 2783/4885
US-20050049245-A1 Heteroaryl-ethanolamine derivatives as antiviral agents RPL35, ZC3HAV1, RPL5 CYP11B1 3971/4885CYP11B2 3821/4885ALDH1A1 971/4885
US-20050043544-A1 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same CYP17A1, HSD17B7, HSD17B1 CYP11B1 20/4885CYP11B2 23/4885ALDH1A1 1246/4885
US-20240383915-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER OXA1L, GRIK4, GRIK5 CYP11B1 449/4885CYP11B2 252/4885ALDH1A1 633/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 CYP11B1 3472/4885CYP11B2 3429/4885ALDH1A1 4451/4885

“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.