SCHEMBL18608669

SCHEMBL18608669

c1cnc(-n2cc(C3CCCCCCCC3)c(Cc3cccs3)n2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HRH3 Q9Y5N1 2/20 0.32

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
SCHEMBL20976710 0.82 KDR (0.35) TSHRALDH1A1CCNE1CDK2MEN1
SCHEMBL20976745 0.82 KDR (0.35) TSHRALDH1A1CCNE1CDK2MEN1
SCHEMBL18608668 0.82 KDR (0.35) TSHRALDH1A1CCNE1CDK2MEN1
SCHEMBL18608670 0.80 GABRA1 (0.42) KDM4EALDH1A1CCNE1CDK2HRH3
SCHEMBL17019401 0.76 ALDH1A1 (0.39) TSHRKDM4EPARP1ALDH1A1HPGD
SCHEMBL4050219 0.62 HRH2 (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL10673090 0.61 PARP1 (0.47) TSHRKDM4EPARP1ALDH1A1HPGD
SCHEMBL14366318 0.61 TSHR (0.46) TSHRKDM4EALDH1A1CYP2C19ADORA3
SCHEMBL2719491 0.60 TAAR1 (0.40) TSHRKDM4EPARP1ALDH1A1L3MBTL1
SCHEMBL9044086 0.60 PARP1 (0.41) TSHRKDM4EMAPK1PARP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170065586-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-03-09 — — 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 (1 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-20170065586-A1 SGC STIMULATORS GUCY1B1, GUCY1A1, PRKG1 TSHR 1149/4885KDM4E 925/4885ALOX15 1728/4885

“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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