SCHEMBL6469417

SCHEMBL6469417

COCn1ccc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.61
CCND1 P24385 4/20 0.61
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
KMT2A Q03164 2/20 0.50
HTR6 P50406 3/20 0.47
MAPK1 P28482 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
USP2 O75604 1/20 0.43
SMPD1 P17405 1/20 0.43

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
SCHEMBL30057745 1.00 CDK4 (0.61) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL30630289 0.81 CDK4 (0.68) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL2080600 0.81 CDK4 (0.68) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL20417796 0.81 CDK4 (0.57) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL31083788 0.78 CDK4 (0.70) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL3995842 0.78 CDK4 (0.70) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL1629560 0.77 CDK4 (0.68) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL29433250 0.77 CDK4 (0.68) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL3434514 0.77 HTT (0.55) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL27467119 0.77 KMT2A (0.56) CDK4CCND1HTR2AHTR2CKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753421-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-09-12 US disclosed
US-11753421-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-09-12 US disclosed
US-11753421-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-09-12 US disclosed
CN-111253424-B Silylation of aromatic heterocycles over earth-rich transition metal-free catalysts 加州理工学院 2023-06-20 CN disclosed
EP-3705482-B1 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS CALIFORNIA INST OF TECHN (US) 2023-02-22 EP disclosed
CN-113527022-B Asymmetric polysulfide compound and its synthesis method and use 华东师范大学 2022-12-06 CN disclosed
US-20220185828-A1 Silylated Derivatives Of Aromatic Heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-06-16 US disclosed
US-20220185828-A1 Silylated Derivatives Of Aromatic Heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-06-16 US disclosed
US-11312733-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-04-26 US disclosed
US-11312733-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-04-26 US disclosed
US-5736544-A ADMINISTERING TO TREAT MIGRAINE HEADACHES IN MAMMALS ELI LILLY AND COMPANY (US) 1998-04-07 US disclosed
US-5705519-A ADMINISTERING A SUBSTITUTED INDOLE TO A MAMMAL ELI LILLY AND COMPANY (US) 1998-01-06 US disclosed
US-5688807-A ANTIDEPRESSANTS, ANXIETY, UROGENITAL DISORDERS, HYPOTENSIVES, CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1997-11-18 US disclosed
US-5635528-A RECEPTOR BINDING MODULATORS, FOR CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1997-06-03 US disclosed
EP-0749313-A1 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed
US-5508284-A TREATING 5-HYDROXYTRYPTAMINE MODULATION ELI LILLY AND COMPANY (US) 1996-04-16 US disclosed
US-5500431-A ANTISEROTONINE AGENTS; SEXUAL AND EATING DISORDERS ELI LILLY AND COMPANY (US) 1996-03-19 US disclosed
WO-1995024200-A1 METHOD FOR TREATING 5HT2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1995-09-14 WO disclosed
WO-1994023720-A1 TETRAHYDRO-BETA-CARBOLINES ELI LILLY AND COMPANY (US) 1994-10-27 WO disclosed
EP-0620222-A2 Tetrahydro-beta-carbolines ELI LILLY AND COMPANY (US) 1994-10-19 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 (3 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-11312733-B2 Silylated derivatives of aromatic heterocycles KCNH1, KCNH3, HNRNPH3 CDK4 1950/4885CCND1 1890/4885HTR2A 1777/4885
US-11753421-B2 Silylated derivatives of aromatic heterocycles KCNH1, KCNH3, HNRNPH3 CDK4 1950/4885CCND1 1890/4885HTR2A 1777/4885
US-20220185828-A1 Silylated Derivatives Of Aromatic Heterocycles KCNH1, KCNH3, HNRNPH3 CDK4 1950/4885CCND1 1890/4885HTR2A 1777/4885

“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.