SCHEMBL2815912

SCHEMBL2815912

FC(F)(F)c1ccnc(N2CCN(c3nc4c5c(n[nH]c5n3)CCN4Cc3ccccc3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.44
CHRM4 P08173 1/20 0.43
ADRB1 P08588 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 2/20 0.41
SLC6A7 Q99884 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
RBP4 P02753 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HSD11B1 P28845 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL2809641 0.88 ALDH1A1 (0.44) ACHEALDH1A1TSHRKMT2AKDM4E
SCHEMBL2812360 0.83 DRD4 (0.43) ALDH1A1MAPTTSHRKDM4E
SCHEMBL2809602 0.82 LMNA (0.43) ALDH1A1MAPTTSHRKDM4E
SCHEMBL2809499 0.82 HTR6 (0.46) ACHEALDH1A1KDM4E
SCHEMBL2812038 0.82 BRS3 (0.44) TSHR
SCHEMBL2814247 0.81 SIGMAR1 (0.47) CHRM4ALDH1A1MAPTTSHRKMT2A
SCHEMBL2810794 0.81 GAA (0.45) ACHEALDH1A1MAPTTRPV1TSHR
SCHEMBL2810576 0.81 ALDH1A1 (0.47) ACHEALDH1A1MAPTTRPV1TSHR
SCHEMBL13146007 0.80 GAA (0.40) ACHEALDH1A1MAPTTRPV1TSHR
SCHEMBL2809831 0.80 DRD4 (0.41) ALDH1A1PKMSLC6A7KDM4E

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 6 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
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 ACHE 4402/4885CHRM4 4789/4885ADRB1 3434/4885

“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.