SCHEMBL22181978

SCHEMBL22181978

CCCNc1ccc(-c2nnc[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.40
HRH3 Q9Y5N1 4/20 0.35
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
EDNRA P25101 1/20 0.32
LIMK1 P53667 1/20 0.31
NR1I2 O75469 1/20 0.31
AHR P35869 1/20 0.31
CHRNA7 P36544 1/20 0.31
AR P10275 2/20 0.31
GAA P10253 1/20 0.31
CASR P41180 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL22181851 0.74 CYP1A2 (0.56) TNIKHRH3LIMK1
SCHEMBL22181977 0.74 TNIK (0.43) TNIKMAPTEDNRALIMK1NR1I2
SCHEMBL22080186 0.74 TP53 (0.44) CA9
SCHEMBL22182004 0.73 TNIK (0.39) TNIKMAPTEDNRALIMK1NR1I2
SCHEMBL1924747 0.72 MAPT (0.57) TNIKMAPTEDNRANR1I2AHR
SCHEMBL11052435 0.69 NPC1 (0.49) MAPT
SCHEMBL22181839 0.69 TNIK (0.39) TNIKMAPTLIMK1CHRNA7AR
SCHEMBL22182001 0.68 LIMK1 (0.54) TNIKMAPTLIMK1
SCHEMBL2492357 0.67 MAPT (0.67) TNIKHRH3MAPTHTTGAA
SCHEMBL8260133 0.67 ALDH1A1 (0.48) MAPTHTT

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 1979/4885HRH3 923/4885MAPT 4360/4885

“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.