SCHEMBL328198

SCHEMBL328198

Cc1cc(N)ccc1N1CCN(C2CCN(C)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
GAA P10253 4/20 0.56
MEN1 O00255 2/20 0.56
THRB P10828 2/20 0.56
KMT2A Q03164 2/20 0.56
NR4A1 P22736 1/20 0.56
PTK2B Q14289 1/20 0.56
RAD52 P43351 2/20 0.54
GFER P55789 1/20 0.54
KDM4E B2RXH2 2/20 0.50
EML4 Q9HC35 6/20 0.46
ALK Q9UM73 6/20 0.46
RET P07949 5/20 0.44
ROS1 P08922 5/20 0.44
FLT3 P36888 5/20 0.44
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL10035939 0.94 MAPT (0.56) ALDH1A1MAPTGAAMEN1THRB
SCHEMBL188287 0.91 MAPT (0.63) ALDH1A1MAPTGAAMEN1THRB
SCHEMBL1812259 0.88 ALDH1A1 (0.64) ALDH1A1MAPTGAAMEN1THRB
SCHEMBL15244439 0.86 MAPT (0.70) ALDH1A1MAPTGAAMEN1THRB
SCHEMBL24124031 0.85 GAA (0.50) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL10126824 0.85 ALDH1A1 (0.69) ALDH1A1MAPTGAAMEN1THRB
SCHEMBL29477783 0.85 ALDH1A1 (0.71) ALDH1A1MAPTGAAMEN1THRB
SCHEMBL187881 0.85 ALDH1A1 (0.71) ALDH1A1MAPTGAAMEN1THRB
SCHEMBL10128072 0.84 ALDH1A1 (0.54) ALDH1A1MAPTGAAMEN1THRB
SCHEMBL24301307 0.84 MAPT (0.52) ALDH1A1MAPTGAAMEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116456985-A Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof 深圳市原力生命科学有限公司 2023-07-18 CN disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
WO-2010128659-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-11-11 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ALDH1A1 1554/4885MAPT 3116/4885GAA 3821/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ALDH1A1 1554/4885MAPT 3116/4885GAA 3821/4885

“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.