SCHEMBL22182004

SCHEMBL22182004

CCCNc1ccc(-c2nnc(N)[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.39
MAPT P10636 2/20 0.38
AR P10275 2/20 0.33
GHSR Q92847 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KDR P35968 1/20 0.32
RRM2 P31350 1/20 0.32
EDNRA P25101 1/20 0.32
APP P05067 3/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LIMK1 P53667 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
SCHEMBL22181839 0.77 TNIK (0.39) TNIKMAPTARCYP1A2RRM2
SCHEMBL22181978 0.73 TNIK (0.40) TNIKMAPTARCA1CA2
SCHEMBL22181977 0.73 TNIK (0.43) TNIKMAPTARCA1CA2
SCHEMBL29964468 0.73 MAPT (0.50) TNIKMAPTEDNRAAPPTP53
SCHEMBL19569164 0.72 NISCH (0.42) MAPTCYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL28182009 0.72 CYP3A4 (0.46) TNIKMAPTGHSRCYP1A2CYP3A4
SCHEMBL10171975 0.71 ALDH1A1 (0.51) MAPTCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL1924747 0.71 MAPT (0.57) TNIKMAPTARCA1CA2
SCHEMBL22181851 0.70 CYP1A2 (0.56) TNIKCYP1A2CYP3A4CYP2C19LIMK1
SCHEMBL22181846 0.70 KDM4E (0.57) MAPTCYP1A2CYP3A4CYP2C19NPC1

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-20220143005-A1 NAPHTHALIMIDE DERIVATIVES AS ANTI-PARASITIC AGENTS FOR THE TREATMENT OF LEISHMANIASIS AS WELL AS VIRAL, BACTERIAL AND NEOPLASTIC DISEASES ISTANBUL MEDIPOL UNIVERSITESI (TR) 2022-05-12 US disclosed
WO-2020139291-A1 NAPHTHALIMIDE DERIVATIVES AS ANTI-PARASITIC AGENTS FOR THE TREATMENT OF LEISHMANIASIS AS WELL AS VIRAL, BACTERIAL AND NEOPLASTIC DISEASES ISTANBUL MEDIPOL UNIVERSITESI (TR) 2020-07-02 WO 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-20220143005-A1 NAPHTHALIMIDE DERIVATIVES AS ANTI-PARASITIC AGENTS FOR THE TREATMENT OF LEISHMANIASIS AS WELL AS VIRAL, BACTERIAL AND NEOPLASTIC DISEASES NPM1, ECI1, IPO5 TNIK 1979/4885MAPT 4360/4885AR 4566/4885

“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.