SCHEMBL19684530

SCHEMBL19684530

Cn1cc(F)c2cncnc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 19/20 0.40
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL13041959 0.78 NTRK1 (0.37) NTRK1
SCHEMBL20782354 0.78 NTRK1 (0.42) NTRK1
SCHEMBL19710954 0.77 CYP17A1 (0.31)
SCHEMBL16091256 0.77 NTRK1 (0.36) NTRK1
SCHEMBL13616224 0.77 BRD4 (0.42) NTRK1
SCHEMBL27975444 0.77 LRRK2 (0.42) NTRK1USP2CYP1A2CYP3A4
SCHEMBL22571051 0.77 ADORA2A (0.33) NTRK1USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL19679362 0.77 NTRK1 (0.40) NTRK1USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL11922157 0.74 NTRK1 (0.37) NTRK1
SCHEMBL28811015 0.73 NTRK1 (0.54) NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125944-A1 COMPOUND CONTAINING HETEROCYCLIC RING 正大天晴药业集团股份有限公司 2023-07-06 WO disclosed
EP-3464249-B1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2021-08-11 EP disclosed
US-20200331957-A1 CYCLIC DI-NUCLEOTIDES AS STIMULATOR OF INTERFERON GENES MODULATORS AJ SCIENCES (YIXING) CO., LTD (CN) 2020-10-22 US disclosed
WO-2017213825-A1 TREATMENT METHODS HAVING REDUCED DRUG-RELATED TOXICITY AND METHODS OF IDENTIFYING THE LIKELIHOOD OF PATIENT HARM FROM PRESCRIBED MEDICATIONS TABULA RASA HEALTHCARE, INC. (US) 2017-12-14 WO disclosed
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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 (2 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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP NTRK1 3964/4885USP2 3416/4885ALDH1A1 2669/4885
US-20200331957-A1 CYCLIC DI-NUCLEOTIDES AS STIMULATOR OF INTERFERON GENES MODULATORS STING1, IRF3, CGAS NTRK1 4190/4885USP2 3118/4885ALDH1A1 3483/4885

“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.