SCHEMBL5605002

SCHEMBL5605002

CSc1ccc(NCc2ccccc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.86
KMT2A Q03164 4/20 0.86
CYP1A2 P05177 4/20 0.86
CYP2C9 P11712 3/20 0.86
CYP2C19 P33261 3/20 0.86
CYP3A4 P08684 2/20 0.86
RAB9A P51151 5/20 0.71
NPC1 O15118 4/20 0.71
MAPT P10636 4/20 0.71
RECQL P46063 1/20 0.69
HTT P42858 1/20 0.63
PTPN1 P18031 1/20 0.62
PTPRZ1 P23471 1/20 0.62
CYP2D6 P10635 2/20 0.60
ALDH1A1 P00352 4/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL28470392 0.92 MEN1 (1.00) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL18688367 0.90 MEN1 (0.85) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL1924100 0.83 HTT (0.78) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL28811527 0.83 MEN1 (1.00) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4779007 0.81 MEN1 (0.72) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL5923871 0.81 MEN1 (0.72) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL22964292 0.80 MEN1 (0.67) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL10561727 0.80 ALDH1A1 (0.69) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL29336365 0.79 RAB9A (0.68) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL856271 0.79 RAB9A (0.71) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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-116102430-B Alkylation synthesis method for in-situ catalytic alcohols 中山大学 2025-03-14 CN disclosed
CN-116102430-A Alkylation synthesis method for in-situ catalytic alcohols 中山大学 2023-05-12 CN disclosed
CN-111807971-B Alkylation synthesis method for in-situ catalysis of alcohols 中山大学 2023-03-24 CN disclosed
CN-111807971-A Alkylation synthesis method for in-situ catalysis of alcohols 中山大学 2020-10-23 CN disclosed
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 EP disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 US disclosed
EP-1390340-A4 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2007-07-25 EP disclosed
US-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-11-23 US disclosed
US-7115784-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-03 US disclosed
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-09-29 US disclosed
US-6867298-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2005-03-15 US disclosed
US-6759554-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-07-06 US disclosed
EP-1390340-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-25 EP disclosed
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 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-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 MEN1 4655/4885KMT2A 435/4885CYP1A2 40/4885
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds CBR3, ADH5, IDH1 MEN1 4617/4885KMT2A 454/4885CYP1A2 46/4885
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 MEN1 4655/4885KMT2A 435/4885CYP1A2 40/4885
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 MEN1 4655/4885KMT2A 435/4885CYP1A2 40/4885

“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.