SCHEMBL15722232

SCHEMBL15722232

CN1CCN(c2ncc(I)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.50
HTR3A P46098 4/20 0.50
USP2 O75604 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 3/20 0.45
HSD17B10 Q99714 3/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
TNKS O95271 1/20 0.43
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3D Q70Z44 1/20 0.42

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
SCHEMBL81909 0.81 HRH4 (0.51) HRH4HTR3AUSP2ALDH1A1CYP1A2
SCHEMBL25689687 0.80 ALDH1A1 (0.37) USP2ALDH1A1MAPTTSHRMAPK1
SCHEMBL14865490 0.80 ALDH1A1 (0.41) USP2ALDH1A1CASP1TSHRMAPK1
SCHEMBL27362988 0.79 KCNH2 (0.41) HRH4HTR3AUSP2ALDH1A1CYP1A2
SCHEMBL1852499 0.79 HTR3A (0.50) HRH4HTR3AUSP2ALDH1A1CYP1A2
SCHEMBL8275473 0.79 SIGMAR1 (0.50) HRH4HTR3ACYP1A2MAPTTSHR
SCHEMBL3566311 0.79 HRH4 (0.50) HRH4HTR3AUSP2ALDH1A1CYP1A2
SCHEMBL15038306 0.79 HDAC3 (0.51) HRH4HTR3AUSP2ALDH1A1CYP1A2
SCHEMBL21025738 0.79 HTR3A (0.36) HRH4HTR3AHSD17B10TNKSMAPT
Hydrochloric Acid SCHEMBL27686792 0.78 HTR3A (0.49) HRH4HTR3AUSP2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024054591-A1 RAPIDLY ACCELERATED FIBROSARCOMA (RAF) DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-03-14 WO disclosed
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
US-20220127279-A1 MDM2-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2022-04-28 US disclosed
US-11191741-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2021-12-07 US disclosed
WO-2020023851-A1 BIFUNCTIONAL SUBSTITUED PYRIMIDINES AS MODULATORS OF FAK PROTEOLYSE YALE UNIVERSITY (US) 2020-01-30 WO disclosed
US-20180177750-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE ARVINAS OPERATIONS, INC. 2018-06-28 US disclosed
WO-2015130838-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed
EP-2124951-B1 5-CYAN0-4- (PYRROLO[2, 3B]PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2014-05-21 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 (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-11191741-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL HRH4 3328/4885HTR3A 4236/4885USP2 28/4885
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL HRH4 3328/4885HTR3A 4236/4885USP2 28/4885
US-20220127279-A1 MDM2-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, XIAP, TP53 HRH4 3850/4885HTR3A 3572/4885USP2 23/4885
US-20180177750-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE CRBN, MDM2, VHL HRH4 3328/4885HTR3A 4236/4885USP2 28/4885

“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.