SCHEMBL2812178

SCHEMBL2812178

C1CC2NNc3nc(N4CCOCC4)nc(c32)N1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 2/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3R1 P27986 4/20 0.33
PIK3CA P42336 4/20 0.33
POLB P06746 1/20 0.33
FLT3 P36888 1/20 0.32
MTOR P42345 1/20 0.32
HTR2C P28335 1/20 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
SCHEMBL8973821 0.65 HTT (0.63) HTTLMNAGAAKDM4EHSD17B10
SCHEMBL12247675 0.64 ALDH1A1 (0.56) HTTLMNAGAATSHRKDM4E
SCHEMBL2378251 0.64 HTR2C (0.44) HTTLMNAGAAKDM4EHSD17B10
SCHEMBL9418611 0.63 HTT (0.61) HTTLMNAGAAKDM4EHSD17B10
SCHEMBL778143 0.63 HRH1 (0.65) HTTLMNAGAAKDM4EHSD17B10
SCHEMBL778162 0.63 HRH1 (0.65) HTTLMNAGAAKDM4EHSD17B10
SCHEMBL2378615 0.61 PIK3CA (0.60) LMNATSHRALDH1A1PIK3R1PIK3CA
SCHEMBL2812176 0.61 GAA (0.41) HTTLMNAGAAKDM4EHSD17B10
SCHEMBL2376887 0.61 KDM4E (0.48) GAATSHRKDM4EHSD17B10ALDH1A1
SCHEMBL2376481 0.59 ALDH1A1 (0.46) GAATSHRKDM4EHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 HTT 2797/4885LMNA 2815/4885GAA 1908/4885

“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.