SCHEMBL17019401

SCHEMBL17019401

Cc1cn(-c2ncccn2)nc1Cc1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ TRPM8 Q7Z2W7 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ADCY10 Q96PN6 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL17019402 0.78 PABPC1 (0.37) —
SCHEMBL18608669 0.76 TSHR (0.36) ALDH1A1HPGDL3MBTL1PARP1ADORA3
SCHEMBL9044086 0.75 PARP1 (0.41) ALDH1A1HPGDGLATDP1POLB
SCHEMBL17019403 0.75 GAA (0.32) —
SCHEMBL14366318 0.67 TSHR (0.46) ALDH1A1TDP1POLBADORA3ADORA1
SCHEMBL2719491 0.66 TAAR1 (0.40) ALDH1A1L3MBTL1POLBPARP1ESR2
SCHEMBL4173670 0.64 KDM4E (0.47) ALDH1A1HPGDGLAPOLBMAPT
SCHEMBL559559 0.63 TAAR1 (0.56) ALDH1A1HPGDL3MBTL1TDP1POLB
SCHEMBL2752018 0.63 SMN1; SMN2 (0.46) ALDH1A1L3MBTL1TDP1POLBMAPT
SCHEMBL28998728 0.62 POLB (0.47) ALDH1A1HPGDGLATDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170065586-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-03-09 — — US disclosed
US-9487508-B2 SGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2016-11-08 — — US disclosed
US-20150232461-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2015-08-20 — — 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-20150232461-A1 SGC STIMULATORS GUCY1B1, GUCY1A1, PRKG1 ALDH1A1 1303/4885HPGD 146/4885GLA 747/4885
US-20170065586-A1 SGC STIMULATORS GUCY1B1, GUCY1A1, PRKG1 ALDH1A1 1303/4885HPGD 146/4885GLA 747/4885

“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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