SCHEMBL2813048

SCHEMBL2813048

COc1ccccc1CCNc1nc2c3c(n1)N(Cc1ccccc1)CCC3NN2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM1A O60341 6/20 0.37
RCOR1 Q9UKL0 6/20 0.37
EHMT2 Q96KQ7 4/20 0.37
SIGMAR1 Q99720 1/20 0.36
JAK2 O60674 1/20 0.36
SRC P12931 1/20 0.36
TNK2 Q07912 1/20 0.36
ALK Q9UM73 1/20 0.36
KCNH2 Q12809 1/20 0.36
CXCR4 P61073 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
SCHEMBL2813853 0.93 BACE1 (0.42) IP6K1MEN1POLBKMT2AKDM1A
SCHEMBL2814443 0.89 RXFP1 (0.35)
SCHEMBL2814269 0.88 RXFP1 (0.36) MEN1KMT2ASIGMAR1CXCR4
SCHEMBL2813941 0.87 ADORA3 (0.41) MEN1KMT2ASIGMAR1
SCHEMBL2810273 0.87 ADORA3 (0.41) MEN1KMT2ASIGMAR1
SCHEMBL2816455 0.87 SIGMAR1 (0.34) SIGMAR1
SCHEMBL2813035 0.86 MCHR1 (0.36) KDM1ARCOR1EHMT2SIGMAR1
SCHEMBL2811115 0.85 MAPT (0.40) HTR6KDM1ARCOR1EHMT2SIGMAR1
SCHEMBL2813871 0.84 MRGPRX1 (0.39) HTR7SRC
SCHEMBL2816740 0.84 OGA (0.32) MEN1KMT2AKDM1ARCOR1EHMT2

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 IP6K1 1027/4885HTR1A 2671/4885DRD2 3970/4885

“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.