SCHEMBL2816633

SCHEMBL2816633

c1ccc(CN2CCN(CCNc3nc4c5c(n[nH]c5n3)CCN4Cc3ccccc3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ACHE P22303 1/20 0.41
BRS3 P32247 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ADAMTS4 O75173 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
CLPP Q16740 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL14405855 0.94 SIGMAR1 (0.43) LMNAACHEBRS3ADAMTS4MEN1
SCHEMBL2812166 0.92 LMNA (0.55) LMNAACHEMEN1KMT2AKDM4E
SCHEMBL537947 0.88 HRH3 (0.42) ACHEBRS3MEN1KMT2ASIGMAR1
SCHEMBL2811941 0.88 CLPP (0.41) LMNABRS3KMT2ACLPPKDM4E
SCHEMBL2814500 0.87 LMNA (0.48) LMNAACHEMEN1KMT2ASIGMAR1
SCHEMBL537893 0.87 ALDH1A1 (0.40) LMNABRS3KDM4EALDH1A1
SCHEMBL2808422 0.84 MRGPRX1 (0.40) SIGMAR1
SCHEMBL2812005 0.84 KMT2A (0.38) LMNABRS3MEN1KMT2AKDM4E
SCHEMBL2810525 0.84 MRGPRX1 (0.49) MEN1KMT2ACLPP
SCHEMBL2812298 0.83 CLPP (0.38) LMNAACHEKMT2ACLPPKDM4E

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 2815/4885ACHE 4402/4885BRS3 3282/4885

“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.