SCHEMBL3072828

SCHEMBL3072828

CNc1ccc2cccnc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
EGFR P00533 1/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
NR4A2 P43354 1/20 0.53
P2RY14 Q15391 2/20 0.48
NOTUM Q6P988 1/20 0.47
TRPV1 Q8NER1 2/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
BAZ1A Q9NRL2 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP3A4 P08684 2/20 0.46

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
SCHEMBL29697303 1.00 ALDH1A1 (0.58) ALDH1A1EGFRMEN1KMT2ACASP1
SCHEMBL2162877 0.86 ALDH1A1 (0.51) ALDH1A1EGFRMEN1KMT2ACASP1
SCHEMBL3155590 0.85 NPC1 (0.62) ALDH1A1EGFRMEN1KMT2ACASP1
SCHEMBL22658423 0.81 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL598102 0.81 NR4A2 (0.58) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL14805621 0.80 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL20206686 0.80 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL12890525 0.80 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ACASP1CASP7
Hydrochloric Acid SCHEMBL25219076 0.79 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL21101485 0.78 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ACASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
CN-1178938-C 1,2-annelated quinoline derivatives ղɭҩҵ���޹�˾ 2004-12-08 CN claimed
CN-1331693-A 1,2-annelated quinoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2002-01-16 CN claimed
US-12358886-B2 Heterocyclic compounds for use in the treatment of cancer ARTIOS PHARMA LIMITED (GB) 2025-07-15 US disclosed
CN-114667167-B Heterocyclic compounds for the treatment of cancer 阿提奥斯医药有限公司 2024-12-20 CN disclosed
EP-4010080-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2023-09-27 EP disclosed
EP-4010080-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2023-09-27 EP disclosed
US-20230242503-A9 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-08-03 US disclosed
US-20230242503-A9 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-08-03 US disclosed
US-20230242503-A9 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-08-03 US disclosed
US-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-29 US disclosed
CN-101242838-A Synergistic modulation of FLT3 kinase using aminoquinoline and aminoquinazoline kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN disclosed
US-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS REMPEX PHARMACEUTICALS, INC. 2008-03-27 US disclosed
CN-1178938-C 1,2-annelated quinoline derivatives ղɭҩҵ���޹�˾ 2004-12-08 CN disclosed
CN-1331693-A 1,2-annelated quinoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2002-01-16 CN disclosed
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 EP disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 US disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 EP 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 (4 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-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 ALDH1A1 319/4885EGFR 3031/4885MEN1 3064/4885
US-20230242503-A9 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER SDHA, SDHB, NQO1 ALDH1A1 97/4885EGFR 458/4885MEN1 966/4885
US-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS ABCB1, ABCB11, SLC47A2 ALDH1A1 3712/4885EGFR 1051/4885MEN1 4742/4885
US-12358886-B2 Heterocyclic compounds for use in the treatment of cancer SDHA, DPYD, TP53 ALDH1A1 232/4885EGFR 575/4885MEN1 1074/4885

“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.