SCHEMBL256336

SCHEMBL256336

CN1CCc2ccncc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
CYP3A4 P08684 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
RAB9A P51151 1/20 0.43
HIF1A Q16665 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNB2 P17787 1/20 0.38

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
SCHEMBL16998410 0.89 SIGMAR1 (0.48) HTR2AHTR2CHTR2BSIGMAR1MAPT
SCHEMBL22674242 0.87 SIGMAR1 (0.52) HTR2AHTR2CHTR2BSIGMAR1MAPT
SCHEMBL256358 0.84 CYP3A4 (0.46) CYP3A4NPC1TP53CYP1A2CYP2D6
SCHEMBL31518333 0.84 CYP3A4 (0.46) CYP3A4NPC1TP53CYP1A2CYP2D6
SCHEMBL12905336 0.81 HTR2A (0.41) HTR2AHTR2CHTR2BCYP3A4SIGMAR1
SCHEMBL261618 0.77 CYP3A4 (0.40) CYP3A4MAPT
SCHEMBL14279928 0.76 HTR2C (0.40) HTR2AHTR2CHTR2BCYP3A4SIGMAR1
SCHEMBL10295512 0.76 HTR2A (0.40) HTR2AHTR2CHTR2BSIGMAR1MAPT
SCHEMBL17953966 0.76 HTR2A (0.40) HTR2AHTR2CHTR2BCYP3A4CYP2D6
SCHEMBL20159085 0.75 SIGMAR1 (0.61) SIGMAR1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
WO-2023244815-A1 MOLECULAR GLUE DEGRADERS AND METHODS OF USING THE SAME MONTE ROSA THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 US disclosed
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 US disclosed
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-26 US disclosed
WO-2023205701-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-10-26 WO disclosed
US-20230210854-A1 MONO- AND COMBINATION THERAPIES RECURIUM IP HOLDINGS, LLC 2023-07-06 US disclosed
US-20230210854-A1 MONO- AND COMBINATION THERAPIES RECURIUM IP HOLDINGS, LLC 2023-07-06 US disclosed
US-20230008362-A1 COMBINATIONS RECURIUM IP HOLDINGS, LLC 2023-01-12 US disclosed
US-20100151064-A1 THIAZOLHYDRAZIDES FOR TREATMENT OF NEURODEGENERATIVE DISEASES TECHNISCHE UNIVERSITAT DARMSTADT (DE) 2010-06-17 US disclosed
US-20100151064-A1 THIAZOLHYDRAZIDES FOR TREATMENT OF NEURODEGENERATIVE DISEASES TECHNISCHE UNIVERSITAT DARMSTADT (DE) 2010-06-17 US disclosed
US-7598236-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2009-10-06 US disclosed
WO-2009068322-A1 SELECTIVE INHIBITION OF POLO-LIKE KINASE 1 MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENS CHAFTEN E.V. (DE) 2009-06-04 WO disclosed
EP-2065039-A1 Selective inhibition of Polo-like kinase 1 Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2009-06-03 EP disclosed
WO-2008055488-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2008-05-15 WO disclosed
WO-2008052804-A1 THIAZOLHYDRAZIDES FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-05-08 WO disclosed
EP-1918286-A1 Thiazolhydrazides for treatment of neurodegenerative diseases MPG Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-05-07 EP disclosed
US-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2008-04-24 US disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 US 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 (8 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-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 HTR2A 1259/4885HTR2C 940/4885HTR2B 756/4885
US-11912708-B2 Macrocyclic heterocycles and uses thereof HRAS, KRAS, TP53 HTR2A 4338/4885HTR2C 2298/4885HTR2B 4336/4885
US-20070021442-A1 HIV reverse transcriptase inhibitors POLRMT, RNGTT, POLR2E HTR2A 4344/4885HTR2C 4776/4885HTR2B 4787/4885
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 HTR2A 2320/4885HTR2C 2099/4885HTR2B 3103/4885
US-20100151064-A1 THIAZOLHYDRAZIDES FOR TREATMENT OF NEURODEGENERATIVE DISEASES HTT, MAPT, SNCA HTR2A 560/4885HTR2C 843/4885HTR2B 774/4885
US-20230210854-A1 MONO- AND COMBINATION THERAPIES TP53, BRCA1, MCL1 HTR2A 3155/4885HTR2C 3778/4885HTR2B 3451/4885
US-20230008362-A1 COMBINATIONS WEE2, WEE1, BCL2 HTR2A 3069/4885HTR2C 3163/4885HTR2B 3801/4885
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF HRAS, KRAS, TP53 HTR2A 4338/4885HTR2C 2298/4885HTR2B 4336/4885

“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.