SCHEMBL29498337

SCHEMBL29498337

N#Cc1ccc2n[nH]nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
F7 P08709 1/20 0.48
F3 P13726 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.42
PIN1 Q13526 1/20 0.41
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
IDO1 P14902 1/20 0.40
MAPK13 O15264 1/20 0.39
CDK1 P06493 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 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
SCHEMBL15197891 0.71 PIN1 (0.42) DYRK1AKDM4EALDH1A1PIN1PKN1
SCHEMBL622637 0.71 CDK5 (0.47) KDM4EALDH1A1PIN1PKN1PKN2
SCHEMBL2728002 0.70 PTPN11 (0.48) DYRK1AKDM4EALDH1A1PIN1PKN1
SCHEMBL29392214 0.70 NQO2 (0.50) KDM4EALDH1A1TSHRPIN1CSNK1A1
SCHEMBL1420076 0.70 KCNJ1 (0.53) KDM4EALDH1A1PIN1PKN1PKN2
SCHEMBL1996329 0.70 NQO2 (0.50) KDM4EALDH1A1TSHRPIN1CSNK1A1
Methane SCHEMBL28258537 0.70 CDK5 (0.46) KDM4EALDH1A1PIN1PKN1PKN2
SCHEMBL31189278 0.69 IMPDH2 (0.39) KDM4EALDH1A1PIN1PKN1PKN2
SCHEMBL6812511 0.69 IMPDH2 (0.43) PIN1PKN1PKN2IMPDH2IMPDH1
SCHEMBL203218 0.69 IMPDH2 (0.43) KDM4EALDH1A1PIN1PKN1PKN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630654-B2 Emulsion particle-containing aqueous dispersion NIPPON SHOKUBAI CO., LTD. (JP) 2026-05-19 US disclosed
US-12473456-B2 Aqueous dispersion, production method therefor, coating composition, and coating film NIPPON SHOKUBAI CO., LTD. (JP) 2025-11-18 US disclosed
US-12084582-B2 Emulsion for water-based ink and ink composition for water-based ink containing the same NIPPON SHOKUBAI CO., LTD. (JP) 2024-09-10 US disclosed
CN-115003765-B Ink for inkjet 株式会社日本触媒 2023-11-28 CN disclosed
CN-113365831-B Emulsion for aqueous ink, and ink composition for aqueous ink comprising same 株式会社日本触媒 2023-05-16 CN disclosed
WO-2023002853-A1 ACRYLIC RESIN FOR INK 株式会社日本触媒 2023-01-26 WO disclosed
EP-4095209-A1 INK-JET INK Nippon Shokubai Co., Ltd. (JP) 2022-11-30 EP disclosed
CN-115003765-A Ink for ink jet 株式会社日本触媒 2022-09-02 CN disclosed
US-20220275152-A1 Aqueous Dispersion, Production Method Therefor, Coating Composition, and Coating Film NIPPON SHOKUBAI CO., LTD. (JP) 2022-09-01 US disclosed
US-20220275117-A1 EMULSION PARTICLE-CONTAINING AQUEOUS DISPERSION NIPPON SHOKUBAI CO., LTD. (JP) 2022-09-01 US disclosed
EP-4011922-A1 EMULSION PARTICLE-CONTAINING AQUEOUS DISPERSION Nippon Shokubai Co., Ltd. (JP) 2022-06-15 EP disclosed
CN-110117338-B Polymer, composition, cured product, and protective film 荒川化学工业株式会社 2022-03-29 CN disclosed
CN-114196246-A Coating agent for cyclic olefin resin, coating agent set, cured product, and laminate 荒川化学工业株式会社 2022-03-18 CN disclosed
US-20220081577-A1 EMULSION FOR WATER-BASED INK AND INK COMPOSITION FOR WATER-BASED INK CONTAINING THE SAME NIPPON SHOKUBAI CO., LTD. (JP) 2022-03-17 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-12630654-B2 Emulsion particle-containing aqueous dispersion CLTB, CLTA, APOB DYRK1A 4148/4885KDM4E 3425/4885ALDH1A1 559/4885

“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.