SCHEMBL16714529

SCHEMBL16714529

OC1CN(Cc2ccccc2)CC1(F)F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.53
ALDH1A1 P00352 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
GBA1 P04062 1/20 0.45
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
GAA P10253 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
SCHEMBL28402455 0.84 ACHE (0.50) FUCA1ALDH1A1SIGMAR1
SCHEMBL6119429 0.84 ACHE (0.50) FUCA1ALDH1A1SIGMAR1
SCHEMBL20521716 0.81 GBA1 (0.47) FUCA1ALDH1A1SIGMAR1GBA1MEN1
SCHEMBL26009111 0.80 ACHE (0.49) FUCA1SIGMAR1MEN1TSHRKMT2A
SCHEMBL1189221 0.80 FUCA1 (0.53) FUCA1ALDH1A1SIGMAR1GBA1GRIN1
SCHEMBL26186790 0.80 SIGMAR1 (0.46) FUCA1ALDH1A1SIGMAR1TSHRGAA
SCHEMBL1188949 0.80 FUCA1 (0.53) FUCA1ALDH1A1SIGMAR1GBA1GRIN1
SCHEMBL6197152 0.80 FUCA1 (0.53) FUCA1ALDH1A1SIGMAR1GBA1GRIN1
SCHEMBL1190369 0.80 FUCA1 (0.53) FUCA1ALDH1A1SIGMAR1GBA1GRIN1
SCHEMBL17499930 0.80 S1PR5 (0.50) FUCA1ALDH1A1MEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250250230-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-08-07 US disclosed
US-20250090500-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2025-03-20 US disclosed
CN-114605327-B Compounds useful as kinase inhibitors 洛克索肿瘤学股份有限公司 2025-03-11 CN disclosed
CN-114716381-B Compounds useful as kinase inhibitors 洛克索肿瘤学股份有限公司 2025-03-11 CN disclosed
CN-114573510-B Compounds useful as kinase inhibitors 洛克索肿瘤学股份有限公司 2025-02-25 CN disclosed
EP-4508027-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2025-02-19 EP disclosed
US-12220401-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY, INC. (US) 2025-02-11 US disclosed
CN-114591242-B Compounds useful as kinase inhibitors 洛克索肿瘤学股份有限公司 2025-01-07 CN disclosed
CN-114634447-B Compounds useful as kinase inhibitors 洛克索肿瘤学股份有限公司 2024-11-15 CN disclosed
CN-113603645-B Compounds useful as kinase inhibitors 洛克索肿瘤学股份有限公司 2024-10-29 CN disclosed
EP-3071570-A1 2,6-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Pfizer Inc. (US) 2016-09-28 EP disclosed
CN-105916853-A 2,6-substituted purine derivatives and their use in the treatment of proliferative disorders 辉瑞公司 2016-08-31 CN disclosed
US-9290496-B2 Purine derivatives PFIZER INC. (US) 2016-03-22 US disclosed
US-9290496-B2 Purine derivatives PFIZER INC. (US) 2016-03-22 US disclosed
US-9290496-B2 Purine derivatives PFIZER INC. (US) 2016-03-22 US disclosed
WO-2015075598-A1 2,6-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS PFIZER INC. (US) 2015-05-28 WO disclosed
WO-2015075598-A1 2,6-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS PFIZER INC. (US) 2015-05-28 WO disclosed
US-20150141402-A1 PURINE DERIVATIVES PFIZER INC. (US) 2015-05-21 US disclosed
US-20150141402-A1 PURINE DERIVATIVES PFIZER INC. (US) 2015-05-21 US disclosed
US-20150141402-A1 PURINE DERIVATIVES PFIZER INC. (US) 2015-05-21 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 (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-20250250230-A1 HETEROCYCLIC COMPOUND HCRTR2, HCRTR1, NPY2R FUCA1 4026/4885ALDH1A1 976/4885SIGMAR1 279/4885
US-12220401-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK FUCA1 1316/4885ALDH1A1 4454/4885SIGMAR1 4719/4885
US-20250090500-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK FUCA1 1316/4885ALDH1A1 4454/4885SIGMAR1 4719/4885
US-20150141402-A1 PURINE DERIVATIVES ADORA3, ADORA1, HPRT1 FUCA1 2981/4885ALDH1A1 1036/4885SIGMAR1 2454/4885

“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.