SCHEMBL2812166

SCHEMBL2812166

c1ccc(CN2CCc3n[nH]c4nc(NCCN5CCOCC5)nc2c34)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
BACE1 P56817 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 1/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
STAT6 P42226 1/20 0.42
TRPC5 Q9UL62 1/20 0.41
CDC7 O00311 1/20 0.41
DHFR P00374 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 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
SCHEMBL2814500 0.94 LMNA (0.48) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL2816633 0.92 LMNA (0.43) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL14405855 0.90 SIGMAR1 (0.43) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL538654 0.88 PIK3CA (0.46) LMNAMEN1KMT2ABACE1ALDH1A1
SCHEMBL2814646 0.85 MEN1 (0.51) LMNAMEN1KMT2ABACE1RAB9A
SCHEMBL537947 0.85 HRH3 (0.42) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL2811941 0.85 CLPP (0.41) LMNAKMT2AALDH1A1KDM4EGAA
SCHEMBL2814373 0.83 PIK3CA (0.45) LMNAMEN1KMT2ABACE1ALDH1A1
SCHEMBL537893 0.83 ALDH1A1 (0.40) LMNAALDH1A1KDM4EHSD17B10CYP3A4
SCHEMBL2812005 0.81 KMT2A (0.38) LMNAMEN1KMT2AALDH1A1KDM4E

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 7 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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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 LMNA 2815/4885MEN1 1767/4885KMT2A 2836/4885

“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.