SCHEMBL22309524

SCHEMBL22309524

Cc1cc(N(C)C)cc(C)c1N1C=CN(c2c(C)cc(N(C)C)cc2C)C1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31

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
SCHEMBL22825416 0.81 KDM4E (0.31)
SCHEMBL22309482 0.78 SCN4A (0.32)
SCHEMBL22309523 0.75 ALDH1A1 (0.34)
SCHEMBL22309483 0.73 ALDH1A1 (0.34) TSHR
SCHEMBL22309474 0.72 BRD4 (0.37) TSHR
SCHEMBL22309471 0.69 LMNA (0.36) TSHR
SCHEMBL22309527 0.69 KDM4E (0.42) TSHR
SCHEMBL22825522 0.66
SCHEMBL22309517 0.66
Hydrochloric Acid SCHEMBL9893440 0.64 TSHR (0.34) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220009854-A1 A SERIES OF CATALYSTS FOR THE HYPERPOLARISATION OF SUBSTRATES UNIVERSITY OF YORK (GB) 2022-01-13 US disclosed
US-20210154333-A1 POLARISATION TRANSFER VIA A SECOND METAL COMPLEX UNIVERSITY OF YORK (GB) 2021-05-27 US disclosed
US-20200397923-A1 HYPERPOLARISATION IN AQUEOUS MEDIA VIA SABRE UNIVERSITY OF YORK (GB) 2020-12-24 US disclosed
US-20200246491-A1 HyperPolarising Substrates Through Relayed Transfer Via Systems Containing Exchangeable Protons UNIVERSITY OF YORK (GB) 2020-08-06 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-20220009854-A1 A SERIES OF CATALYSTS FOR THE HYPERPOLARISATION OF SUBSTRATES SPR, YAP1, KRAS TSHR 1139/4885
US-20200246491-A1 HyperPolarising Substrates Through Relayed Transfer Via Systems Containing Exchangeable Protons TSPO, RHOT2, KRAS TSHR 952/4885
US-20210154333-A1 POLARISATION TRANSFER VIA A SECOND METAL COMPLEX TSPO, SPR, TIMM50 TSHR 2931/4885
US-20200397923-A1 HYPERPOLARISATION IN AQUEOUS MEDIA VIA SABRE KRAS, FH, HYOU1 TSHR 1217/4885

“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.