SCHEMBL11087333

SCHEMBL11087333

CC(C)c1ncc(Cl)cn1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APLNR P35414 3/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE5A O76074 1/20 0.30
PDE9A O76083 1/20 0.30

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
SCHEMBL22481548 0.81 APLNR (0.33) APLNR
SCHEMBL18483580 0.79 APLNR (0.35) APLNR
SCHEMBL16649641 0.79 ADRB2 (0.41) APLNRCYP1A2
SCHEMBL14846893 0.79 ADRB2 (0.41) APLNRCYP1A2
SCHEMBL25763724 0.77 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL19551110 0.75 MAPT (0.38) APLNRNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL20189723 0.75 APLNR (0.65) APLNR
SCHEMBL12363180 0.75 MAPT (0.38) APLNRNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL10105660 0.74 APLNR (0.58) APLNRCYP1A2
SCHEMBL2757603 0.74 APLNR (0.36) APLNRNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4474958-A 2-Alkyl-5-halopyrimidines THE DOW CHEMICAL COMPANY (US) 1984-10-02 US claimed
EP-0097451-A1 2-Alkyl-5-pyrimidines THE DOW CHEMICAL COMPANY (US) 1984-01-04 EP claimed
US-20240239759-A1 ISOXAZOLINE COMPOSITIONS AND THEIR USE AS ANTIPARASITICS INTERVET INC. (US) 2024-07-18 US disclosed
US-20240239759-A1 ISOXAZOLINE COMPOSITIONS AND THEIR USE AS ANTIPARASITICS INTERVET INC. (US) 2024-07-18 US disclosed
US-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 PRAMANA PHARMACEUTICALS INC. (CA) 2024-07-16 US disclosed
EP-4031544-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR AND SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2024-02-28 EP disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 WO disclosed
EP-3468967-B1 COMPOUNDS CONTAINING BENZO[D][1,3]OXATHIOLE, BENZO[D][1,3]OXATHIOLE 3-OXIDE OR BENZO[D][1,3]OXATHIOLE 3,3-DIOXIDE AND METHODS/USES THEREOF AS AGONISTS OF G PROTEIN-COUPLED RECEPTOR 119 PRAMANA PHARMACEUTICALS INC (CA) 2023-07-26 EP disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 US disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 US disclosed
US-7501413-B2 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-20070249629-A1 Viral Polymerase Inhibitors BEAULIEU PIERRE 2007-10-25 US disclosed
US-20070249629-A1 Viral Polymerase Inhibitors BEAULIEU PIERRE 2007-10-25 US disclosed
US-7241801-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
US-7241801-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
US-4474958-A 2-Alkyl-5-halopyrimidines THE DOW CHEMICAL COMPANY (US) 1984-10-02 US disclosed
EP-0097451-A1 2-Alkyl-5-pyrimidines THE DOW CHEMICAL COMPANY (US) 1984-01-04 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 (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-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 APLNR 4629/4885CYP1A2 17/4885CYP2C9 35/4885
US-20070249629-A1 Viral Polymerase Inhibitors RPP30, POLR2A, POLR1E APLNR 3900/4885CYP1A2 2284/4885CYP2C9 693/4885
US-20090170859-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 APLNR 2727/4885CYP1A2 2431/4885CYP2C9 1179/4885
US-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 GPR119, GPR3, GPR39 APLNR 591/4885CYP1A2 1150/4885CYP2C9 1167/4885
US-20240239759-A1 ISOXAZOLINE COMPOSITIONS AND THEIR USE AS ANTIPARASITICS PRDX5, TUBA3C, TUBA1C APLNR 3930/4885CYP1A2 214/4885CYP2C9 275/4885

“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.