SCHEMBL22169239

SCHEMBL22169239

Cc1cccc(CN2CCN(C)CC2)c1N

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
LMNA P02545 3/20 0.49
CHRNA7 P36544 1/20 0.48
MC4R P32245 1/20 0.47
CYP2A13 Q16696 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
NR1H2 P55055 1/20 0.46
ACHE P22303 1/20 0.45
HTR6 P50406 2/20 0.44
CA2 P00918 1/20 0.44
NCF1 P14598 1/20 0.44
CHKA P35790 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL4808302 0.85 LMNA (0.50) LMNACHRNA7MC4RKDM4EALDH1A1
SCHEMBL11891934 0.82 KMT2A (0.73) KMT2ALMNACHRNA7MC4RCYP2A13
SCHEMBL9060001 0.82 CYP2A13 (0.71) KMT2ALMNACYP2A13KDM4EALDH1A1
SCHEMBL309875 0.80 LMNA (0.49) KMT2ALMNACHRNA7MC4RKDM4E
SCHEMBL19562078 0.80 MC4R (0.51) KMT2ALMNACHRNA7MC4RCYP2A13
SCHEMBL22169121 0.80 DRD2 (0.52) KMT2ALMNAKDM4EALDH1A1POLB
SCHEMBL3412153 0.77 MC4R (0.56) KMT2ALMNACHRNA7MC4RKDM4E
SCHEMBL18713208 0.77 MC4R (0.55) KMT2ALMNACHRNA7MC4RKDM4E
SCHEMBL23074938 0.76 ALDH1A1 (0.56) KMT2ALMNACHRNA7MC4RCYP2A13
SCHEMBL18658782 0.75 LMNA (0.51) LMNACHRNA7MC4RCYP2A13KDM4E

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-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 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-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A KMT2A 221/4885LMNA 3527/4885CHRNA7 4074/4885

“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.