SCHEMBL20186752

SCHEMBL20186752

NCC1(NC(=O)O)CCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
CACNA2D1 P54289 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL14165607 0.95 ALDH1A1 (0.42) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL3892858 0.93 ALDH1A1 (0.45) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL14690688 0.91
Benzene SCHEMBL28175146 0.90 ALDH1A1 (0.42) USP2ALDH1A1LMNACYP1A2TSHR
Hydrochloric Acid SCHEMBL20531748 0.88 USP2 (0.34) USP2ALDH1A1LMNACYP1A2TSHR
Oxalic Acid SCHEMBL14842438 0.86 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL14842130 0.81 KDM4E (0.31) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL14845321 0.79 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL14845323 0.79 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL18131263 0.79 MME (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116926-A1 HETEROAROMATIC COMPOUNDS ASTRAZENECA AB (SE) 2024-04-11 US disclosed
WO-2023209086-A1 BICYCLIC HETEROAROMATIC COMPOUNDS FOR TREATING CANCER ASTRAZENECA AB (SE) 2023-11-02 WO disclosed
US-20230339976-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. 2023-10-26 US disclosed
EP-4192585-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2023-06-14 EP disclosed
WO-2023094305-A1 PYRAZINE COMPOUNDS USEFUL IN THE TREATMENT OF PARASITIC PROTOZOAL INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-06-01 WO disclosed
EP-3548495-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-01-27 EP disclosed
EP-3548495-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS Gilead Sciences, Inc. (US) 2019-10-09 EP disclosed
US-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-10-16 US disclosed
WO-2018102384-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-06-07 WO disclosed
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 US disclosed
US-20160030414-A1 BENZOQUINOLINE INHIBITORS OF VMAT 2 AUSPEX PHARMACEUTICALS, INC. 2016-02-04 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 (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-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors CAMK1, CAMKK1, CAMK1D USP2 3374/4885ALDH1A1 1512/4885LMNA 1251/4885
US-20240116926-A1 HETEROAROMATIC COMPOUNDS CYP1B1, CYP2D6, CYP1A1 USP2 4069/4885ALDH1A1 130/4885LMNA 2244/4885
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D USP2 3374/4885ALDH1A1 1512/4885LMNA 1251/4885
US-20160030414-A1 BENZOQUINOLINE INHIBITORS OF VMAT 2 SLC18A2, ACAT2, SLC6A2 USP2 2480/4885ALDH1A1 695/4885LMNA 2477/4885
US-20230339976-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS USP2 1364/4885ALDH1A1 2681/4885LMNA 4069/4885

“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.