SCHEMBL19853172

SCHEMBL19853172

CC(=N)c1ccnc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.44
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
ESR1 P03372 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
PTK2B Q14289 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6555113 0.81 NCF1 (0.52) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL28879949 0.81 NCF1 (0.47) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL827639 0.81 MEN1 (0.47) NCF1LOXL2MAPTNPC1ESR1
SCHEMBL617857 0.81 NCF1 (0.47) NCF1LOXL2HTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL20270003 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL29533449 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL27613416 0.79 LOXL2 (0.43) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL2009732 0.77 NCF1 (0.47) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL23193358 0.76 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL18334711 0.75 PTPN1 (0.44) NCF1LOXL2MAPTNPC1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-02-08 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-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TPMT, TET1, DNMT1 NCF1 3655/4885LOXL2 1148/4885HTR1A 3443/4885

“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.