SCHEMBL6185564

SCHEMBL6185564

Cc1ccc2cccc(N)c2c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.54
ALDH1A1 P00352 6/20 0.48
CYP3A4 P08684 5/20 0.48
TSHR P16473 5/20 0.48
HPGD P15428 5/20 0.48
HSD17B10 Q99714 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 2/20 0.47
PIK3CA P42336 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 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
GLO1 Q04760 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL17065502 0.84 ALDH1A1 (0.50) CD44ALDH1A1CYP3A4TSHRHPGD
SCHEMBL12202115 0.81 ALDH1A1 (0.48) CD44ALDH1A1CYP3A4TSHRHPGD
SCHEMBL6543972 0.80 CD44 (0.50) CD44ALDH1A1CYP3A4TSHRHPGD
SCHEMBL7752251 0.79 ALDH1A1 (0.48) CD44ALDH1A1CYP3A4TSHRHPGD
SCHEMBL31484742 0.79 CD44 (0.54) CD44ALDH1A1CYP3A4TSHRHPGD
SCHEMBL4083590 0.79 CD44 (0.54) CD44ALDH1A1CYP3A4TSHRHPGD
SCHEMBL22586363 0.79 CYP3A4 (0.45) CD44ALDH1A1CYP3A4TSHRHPGD
SCHEMBL14742902 0.78 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRHPGDHSD17B10
SCHEMBL26016639 0.78 ALDH1A1 (0.44) CD44ALDH1A1CYP3A4TSHRHPGD
Hydrochloric Acid SCHEMBL28970550 0.77 CYP3A4 (0.54) CD44ALDH1A1CYP3A4TSHRHPGD

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108689925-B Hypochlorous acid and nitric oxide fluorescent probe based on 1, 8-diaminonaphthalene unit 延边大学 2021-03-16 CN claimed
CN-101294005-B Red naphtocyclinon solvent dye and preparation method thereof HAINING MODERN CHEMICAL CO LTD 2011-08-17 CN claimed
US-5830931-A DYEING SYNTHETIC HYDROPHOBIC MATERIAL BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US claimed
US-20230279025-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-09-07 US disclosed
CN-107108661-A Kill the benzoxaborole heterocyclic pentene of microorganism 先正达参股股份有限公司 2017-08-29 CN disclosed
CN-107105666-A Novel microbicide 先正达参股股份有限公司 2017-08-29 CN disclosed
US-8642806-B2 Squarylium compound, method for producing the same and infrared absorbent FUJIFILM CORPORATION (JP) 2014-02-04 US disclosed
US-8642806-B2 Squarylium compound, method for producing the same and infrared absorbent FUJIFILM CORPORATION (JP) 2014-02-04 US disclosed
US-20110245538-A1 SQUARYLIUM COMPOUND, METHOD FOR PRODUCING THE SAME AND INFRARED ABSORBENT FUJIFILM CORPORATION (JP) 2011-10-06 US disclosed
US-20110245538-A1 SQUARYLIUM COMPOUND, METHOD FOR PRODUCING THE SAME AND INFRARED ABSORBENT FUJIFILM CORPORATION (JP) 2011-10-06 US disclosed
EP-1590358-A1 9-KETOSPINOSYN DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2005-11-02 EP disclosed
EP-0695283-A4 1996-03-13 EP disclosed
EP-0695283-A1 PROPELLANT FORMULATIONS BASED ON DINITRAMIDE SALTS AND ENERGETIC BINDERS THIOKOL CORPORATION (US) 1996-02-07 EP disclosed
EP-0683212-A1 New dyes for the bulk dyeing of synthetic materials BAYER AG (DE) 1995-11-22 EP disclosed
EP-0639624-A1 Phthaloperinone dyestuffs BAYER AG (DE) 1995-02-22 EP disclosed
WO-1994024073-A1 PROPELLANT FORMULATIONS BASED ON DINITRAMIDE SALTS AND ENERGETIC BINDERS THIOKOL CORPORATION (US) 1994-10-27 WO disclosed
EP-0349219-B1 1,2,4,5-benzoylenebis(naphtho[1,8-de]pyrimidine) compounds and their use SHARP KK (JP) 1994-10-05 EP disclosed
US-5116706-A As charge generating component SHARP KABUSHIKI KAISHA (JP) 1992-05-26 US disclosed
EP-0349219-A1 1,2,4,5-benzoylenebis(naphtho[1,8-de]pyrimidine) compounds and their use SHARP KABUSHIKI KAISHA (JP) 1990-01-03 EP disclosed
US-4024144-A SULFONIC ACID GROUPS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 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 (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-20230279025-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS CD44 3682/4885ALDH1A1 2943/4885CYP3A4 4108/4885
US-20110245538-A1 SQUARYLIUM COMPOUND, METHOD FOR PRODUCING THE SAME AND INFRARED ABSORBENT SQLE, RXFP4, RXFP3 CD44 4362/4885ALDH1A1 3188/4885CYP3A4 18/4885

“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.