SCHEMBL6826561

SCHEMBL6826561

ON=C1CCc2cc(Cl)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 1.00
▸ SRD5A1 P18405 3/20 0.50
▸ SRD5A2 P31213 2/20 0.50
▸ LMNA P02545 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ BRAF P15056 9/20 0.44
▸ MAPK3 P27361 7/20 0.44
▸ MAPK1 P28482 7/20 0.44
▸ HPGD P15428 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP19A1 P11511 2/20 0.41
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 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
SCHEMBL12813394 1.00 HTT (1.00) HTTSRD5A1SRD5A2LMNAHSD17B10
SCHEMBL7886516 0.89 HTT (0.80) HTTSRD5A1SRD5A2LMNABRAF
SCHEMBL22652227 0.89 HTT (0.80) HTTSRD5A1SRD5A2LMNABRAF
SCHEMBL7886513 0.89 HTT (0.80) HTTSRD5A1SRD5A2LMNABRAF
SCHEMBL8312277 0.85 HTT (0.73) HTTSRD5A1SRD5A2LMNAHSD17B10
SCHEMBL8312278 0.85 HTT (0.73) HTTSRD5A1SRD5A2LMNAHSD17B10
SCHEMBL17988347 0.82 HTT (0.70) HTTLMNAHSD17B10BRAFMAPK3
SCHEMBL15282381 0.79 SRD5A1 (0.64) HTTSRD5A1SRD5A2LMNACYP19A1
SCHEMBL4344365 0.77 HTT (0.62) HTTLMNAHSD17B10BRAFMAPK3
SCHEMBL13615452 0.77 HTT (0.62) HTTLMNAHSD17B10BRAFMAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669070-A Synthesis method of O- (dialkyl phosphinic group) ketoxime 成都理工大学 2020-01-10 — — CN claimed
CN-105085279-A Preparation of R-5-chloro-1-aminoindane WU LING 2015-11-25 — — CN claimed
CN-102718663-A Synthesis method of 5-chloro-1-indene amine TAIZHOU CITY HWASUN PHARMACUETICAL AND CHEMICAL CO LTD 2012-10-10 — — CN claimed
CN-110669070-B Synthesis method of O- (dialkyl phosphinic group) ketoxime 成都理工大学 2021-08-27 — — CN disclosed
CN-110669070-A Synthesis method of O- (dialkyl phosphinic group) ketoxime 成都理工大学 2020-01-10 — — CN disclosed
CN-105085279-A Preparation of R-5-chloro-1-aminoindane WU LING 2015-11-25 — — CN disclosed
US-20140088103-A1 (FUSED RING ARYLAMINO AND HETEROCYCLYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES MEI PHARMA, INC. (US) 2014-03-27 — — US disclosed
EP-2691388-A1 (FUSED RING ARYLAMINO AND HETEROCYCLYLAMINO) PYRIMIDYNYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES MEI Pharma, Inc. (US) 2014-02-05 — — EP disclosed
CN-102718663-A Synthesis method of 5-chloro-1-indene amine TAIZHOU CITY HWASUN PHARMACUETICAL AND CHEMICAL CO LTD 2012-10-10 — — CN disclosed
CN-102718663-A Synthesis method of 5-chloro-1-indene amine TAIZHOU CITY HWASUN PHARMACUETICAL AND CHEMICAL CO LTD 2012-10-10 — — CN disclosed
WO-2012135166-A1 (FUSED RING ARYLAMINO AND HETEROCYCLYLAMINO) PYRIMIDYNYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES PATHWAY THERAPEUTICS INC. (US) 2012-10-04 — — WO disclosed
US-6737547-B1 Compositions containing and methods of using N-acyl-1H-aminoindenes TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2004-05-18 — — US disclosed
WO-2000038673-A1 COMPOSITIONS CONTAINING AND METHODS OF USING N-ACYL-1H-AMINOINDENES TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2000-07-06 — — 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 (1 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-20140088103-A1 (FUSED RING ARYLAMINO AND HETEROCYCLYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CDK4, MKI67 HTT 628/4885SRD5A1 1368/4885SRD5A2 1371/4885

“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.

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