SCHEMBL13090293

SCHEMBL13090293

CC1(C)CNCc2ccc(N3CCOCC3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.38
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ HPGD P15428 3/20 0.35
▸ HTT P42858 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ ATRIP Q8WXE1 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
Hydrochloric Acid SCHEMBL2912734 0.99 GAA (0.37) GAAKMT2AALDH1A1HPGDHTT
SCHEMBL13090292 0.80 ATR (0.43) ATRATRIP
Hydrochloric Acid SCHEMBL2910237 0.79 ATR (0.42) ATRATRIP
SCHEMBL2608562 0.72 GAA (0.40) GAAKMT2AALDH1A1HPGDHTT
SCHEMBL2911347 0.71 HTR2C (0.54) GAAHTTSMN1; SMN2ATRATRIP
SCHEMBL2110646 0.71 KMT2A (0.37) GAAKMT2AALDH1A1HPGDHTT
SCHEMBL2110835 0.71 KMT2A (0.37) GAAKMT2AALDH1A1HPGDHTT
SCHEMBL2111369 0.71 KMT2A (0.37) GAAKMT2AALDH1A1HPGDHTT
SCHEMBL2904478 0.70 GAA (0.38) GAAKMT2AALDH1A1HPGDHTT
SCHEMBL2110161 0.69 HTR2A (0.41) GAAKMT2AHTTATRATRIP

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
EP-2789338-A2 Condensed pyridine derivate and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-10-15 — — EP disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 — — US disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 — — 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-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF HTR2C, HTR5A, HTR3C GAA 4765/4885KMT2A 3157/4885ALDH1A1 2054/4885

“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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