SCHEMBL19520360

SCHEMBL19520360

CCc1nnc(SCC(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)n1CC

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.68
▸ SMN1; SMN2 Q16637 3/20 0.68
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ ALDH1A1 P00352 7/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ALOX15 P16050 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TP53 P04637 1/20 0.49

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
SCHEMBL19520565 0.91 TSHR (0.69) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19520567 0.91 TSHR (0.72) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19520368 0.90 TSHR (0.66) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19520401 0.90 TSHR (0.71) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19520413 0.89 TSHR (0.85) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19520410 0.89 TSHR (0.64) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19538764 0.88 TSHR (0.68) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19520357 0.88 TSHR (0.68) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19520402 0.87 TSHR (0.67) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19520585 0.87 ALDH1A1 (0.68) TSHRSMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3448853-B1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2021-11-17 — — EP claimed
US-10730865-B2 Compounds for modulating aquaporins APOGLYX AB (SE) 2020-08-04 — — US claimed
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2019-05-02 — — US claimed
WO-2017186893-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2017-11-02 — — WO claimed
US-10730865-B2 Compounds for modulating aquaporins APOGLYX AB (SE) 2020-08-04 — — US disclosed
US-10730865-B2 Compounds for modulating aquaporins APOGLYX AB (SE) 2020-08-04 — — US disclosed
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2019-05-02 — — US disclosed
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2019-05-02 — — US disclosed
WO-2017186893-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2017-11-02 — — WO disclosed
WO-2017186893-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2017-11-02 — — WO 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-10730865-B2 Compounds for modulating aquaporins AQP1, AQP4, AQP3 TSHR 3510/4885SMN1; SMN2 4791/4885MEN1 1406/4885
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS AQP1, AQP4, AQP3 TSHR 3510/4885SMN1; SMN2 4791/4885MEN1 1406/4885

“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.

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