SCHEMBL4248747

SCHEMBL4248747

CN1CCN(Cc2cc(N)cc(C(C)(C)C#N)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP19A1 P11511 2/20 0.42
UGT1A4 P22310 1/20 0.42
PDE4D Q08499 1/20 0.42
AXL P30530 1/20 0.41
MC4R P32245 1/20 0.40
NR1H2 P55055 1/20 0.39
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
CHKA P35790 5/20 0.38
CA2 P00918 1/20 0.38
NCF1 P14598 1/20 0.38
PRMT6 Q96LA8 1/20 0.38

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
SCHEMBL4947573 0.84 ALDH1A1 (0.56) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL545449 0.80 LMNA (0.53) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL29777509 0.80 LMNA (0.53) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL3933818 0.80 ALDH1A1 (0.46) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL22712682 0.79 LMNA (0.67) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL4243942 0.79 ALDH1A1 (0.42) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL3934249 0.77 CHKA (0.48) ALDH1A1MAPTKDM4EGAATSHR
SCHEMBL21416852 0.74 LMNA (0.42) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL18775271 0.73 LMNA (0.59) LMNAALDH1A1MAPTKDM4ETSHR
SCHEMBL15000246 0.72 LMNA (0.57) LMNAALDH1A1MAPTKDM4EMC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115279759-A 3- ((8- ((1H-pyrazol-4-yl) amino) imidazo [1,2-a ] pyridin-3-yl) ethynyl) -N-phenylbenzamide derivative, preparation method thereof, and pharmaceutical composition for preventing or treating cancer containing same as active ingredient 大邱庆北尖端医疗产业振兴财团 2022-11-01 CN disclosed
US-20090170849-A1 QUINAZOLINONE DERIVATIVES HAVING B-RAF INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2009-07-02 US disclosed
CN-101415688-A Quinazolone derivative with B-RAF inhibition activity ASTRAZENECA AB (SE) 2009-04-22 CN 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-20090170849-A1 QUINAZOLINONE DERIVATIVES HAVING B-RAF INHIBITORY ACTIVITY BRAF, ARAF, RAF1 LMNA 2340/4885ALDH1A1 468/4885MAPT 4520/4885

“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.