SCHEMBL4081102

SCHEMBL4081102

N#Cc1cccc2cccc(N)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.46
CYP3A4 P08684 5/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
JAK2 O60674 1/20 0.41
RPS6KA3 P51812 1/20 0.41
MELK Q14680 1/20 0.41
STK24 Q9Y6E0 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 5/20 0.38
TSHR P16473 4/20 0.38
HSD17B10 Q99714 4/20 0.38
KEAP1 Q14145 1/20 0.38
CYP1A1 P04798 1/20 0.36

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
SCHEMBL29973162 0.84 CA1 (0.50) MAP2K1CYP3A4CYP1A2CA1CA2
SCHEMBL819594 0.84 CA1 (0.50) MAP2K1CYP3A4CYP1A2CA1CA2
Hydrogen Sulfide SCHEMBL29288364 0.81 CA1 (0.48) MAP2K1CYP3A4CYP1A2CA1CA2
SCHEMBL10338061 0.81 TSHR (0.50) MAP2K1CYP3A4CYP1A2CA1CA2
SCHEMBL25842787 0.79 HTT (0.46) MAP2K1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL689260 0.78 CYP1A1 (0.42) CYP3A4CYP1A2CYP2C9CYP2C19JAK2
SCHEMBL21896646 0.76 MAP2K1 (0.41) MAP2K1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL65699 0.75 JAK2 (0.54) CYP3A4CYP1A2CYP2C9CYP2C19JAK2
SCHEMBL29349435 0.75 JAK2 (0.54) CYP3A4CYP1A2CYP2C9CYP2C19JAK2
SCHEMBL5749081 0.75 KDM4E (0.44) MAP2K1CYP3A4CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091746-A1 COMBINATION THERAPY COMPRISING AN FGFR INHIBITOR AND A KRAS INHIBITOR INCYTE CORPORATION (US) 2023-05-25 WO disclosed
US-7482339-B2 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2009-01-27 US disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 US disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 EP disclosed
US-5545744-A Cyano naphthalene compounds AGOURON PHARMACEUTICALS, INC. (US) 1996-08-13 US disclosed
US-5545744-A Cyano naphthalene compounds AGOURON PHARMACEUTICALS, INC. (US) 1996-08-13 US disclosed
US-5498727-A Preparation of benzindole compounds from naphthalene compounds AGOURON PHARMACEUTICALS, INC. (US) 1996-03-12 US disclosed
US-5498727-A Preparation of benzindole compounds from naphthalene compounds AGOURON PHARMACEUTICALS, INC. (US) 1996-03-12 US disclosed
WO-1996002502-A1 PREPARATION OF BENZINDOLE COMPOUNDS FROM NAPHTHALENE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1996-02-01 WO disclosed
WO-1996002502-A1 PREPARATION OF BENZINDOLE COMPOUNDS FROM NAPHTHALENE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1996-02-01 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-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative NPM1, OXTR, CYP2S1 MAP2K1 2093/4885CYP3A4 95/4885CYP1A2 33/4885

“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.