SCHEMBL3876930

SCHEMBL3876930

Nc1cc2oc3cc(N)c(N)cc3c2cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 6/20 0.46
PTK2 Q05397 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
TBK1 Q9UHD2 1/20 0.35
NQO1 P15559 1/20 0.34
POLB P06746 1/20 0.33
EGFR P00533 1/20 0.32

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
SCHEMBL19670843 0.85 SMN1; SMN2 (0.54) AHRPTK2SMN1; SMN2MAPTKDM4E
SCHEMBL3874881 0.78 EGFR (0.50) AHRSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL3876540 0.78 EGFR (0.42) AHRSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL18623483 0.71 PTK2 (0.64) PTK2SMN1; SMN2MAPTALDH1A1KMT2A
Water SCHEMBL28439154 0.68 PTK2 (0.58) PTK2SMN1; SMN2MAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL28638369 0.68 PTK2 (0.58) PTK2SMN1; SMN2MAPTALDH1A1KMT2A
Water SCHEMBL28575940 0.68 PTK2 (0.58) PTK2SMN1; SMN2MAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL29816484 0.68 PTK2 (0.58) PTK2SMN1; SMN2MAPTALDH1A1KMT2A
Water SCHEMBL29609383 0.68 PTK2 (0.58) PTK2SMN1; SMN2MAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL18606145 0.68 PTK2 (0.58) PTK2SMN1; SMN2MAPTALDH1A1KMT2A

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
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
WO-2022034907-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN 東ソー株式会社 2022-02-17 WO disclosed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US disclosed
US-4021409-A Thermally stable benzimidazonaphthyridine compositions THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1977-05-03 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 (2 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 AHR 1457/4885PTK2 2643/4885SMN1; SMN2 4772/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 AHR 1457/4885PTK2 2643/4885SMN1; SMN2 4772/4885

“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.