SCHEMBL21849564

SCHEMBL21849564

CCc1cc(-n2cnnc2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.36
CYP2C9 P11712 1/20 0.36
SREBF1 P36956 1/20 0.34
SREBF2 Q12772 1/20 0.34
PRKCI P41743 1/20 0.33
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
MAP4K4 O95819 1/20 0.33
QPCT Q16769 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL17828141 0.81 POLB (0.42) CYP1A2POLBSMN1; SMN2SREBF1SREBF2
SCHEMBL21863400 0.75 UHRF1 (0.46) CYP1A2SMN1; SMN2CYP2C9HTR1DHTR1B
Water SCHEMBL28114124 0.71 HRH4 (0.50) CYP1A2POLBPROKR1
SCHEMBL21848985 0.70 CYP2C9 (0.36) CYP1A2SMN1; SMN2CYP2C9PRKCIALDH1A1
SCHEMBL9885020 0.69 SIRT2 (0.47) CYP1A2POLBSREBF1SREBF2ALDH1A1
SCHEMBL13562439 0.69 HRH4 (0.57) CYP1A2CYP2C9CYP3A4
SCHEMBL16841256 0.69 PIK3CA (0.43) ALDH1A1KMT2AKDM4ELMNA
SCHEMBL218290 0.69 NOS3 (0.61) CYP1A2POLBSREBF1SREBF2PRKCI
SCHEMBL31555358 0.69 CYP1A2 (0.52) CYP1A2POLBSREBF1SREBF2PRKCI
SCHEMBL25532616 0.68 MGLL (0.51) CYP1A2POLBSMN1; SMN2CYP2C9QPCT

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-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 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-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP1A2 767/4885POLB 2574/4885SMN1; SMN2 3714/4885

“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.