SCHEMBL3645171

SCHEMBL3645171

Fc1ccc(Nc2nc(N3CCCC3)nc3nccnc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 14/20 0.58
▸ HTR2A P28223 11/20 0.58
▸ PRKD3 O94806 1/20 0.45
▸ TGFBR1 P36897 1/20 0.45
▸ PRKD1 Q15139 1/20 0.45
▸ PRKD2 Q9BZL6 1/20 0.45
▸ CCR4 P51679 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL27429988 0.89 HTR2C (0.61) HTR2CHTR2AMEN1BLMKMT2A
SCHEMBL27429987 0.82 MAPT (0.48) HTR2CHTR2AMAPTMEN1KMT2A
SCHEMBL23867520 0.80 TDP1 (0.48) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL27430034 0.78 HTR2C (0.48) HTR2CHTR2AMEN1BLMKMT2A
SCHEMBL27430035 0.77 LMNA (0.60) HTR2CHTR2AMAPT
SCHEMBL27430032 0.77 HTR2C (0.60) HTR2CHTR2APRKD3TGFBR1PRKD1
SCHEMBL27429695 0.76 HRH4 (0.49) HTR2CHTR2AMEN1BLMKMT2A
SCHEMBL27248325 0.75 HPGD (0.54) HTR2CHTR2AMAPTALDH1A1HPGD
SCHEMBL27248309 0.74 SRC (0.52) HTR2CHTR2APRKD3TGFBR1PRKD1
SCHEMBL27248389 0.74 L3MBTL1 (0.46) HTR2CHTR2APRKD3TGFBR1PRKD1

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
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 — — US claimed
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 — — US disclosed
CN-101784276-A Use of compounds for the preparation of antituberculosis agents SUMMIT CORP PLC 2010-07-21 — — CN disclosed
EP-2173346-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS Summit Corporation Plc (GB) 2010-04-14 — — EP disclosed
WO-2009001060-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS SUMMIT CORPORATION PLC (GB) 2008-12-31 — — 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 (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-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS TPX2, DCXR, RRM2 HTR2C 4581/4885HTR2A 4438/4885PRKD3 2308/4885

“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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