SCHEMBL7699263

SCHEMBL7699263

Clc1cc(Cl)c2ccc(Br)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.46
ACHE P22303 1/20 0.42
HTT P42858 2/20 0.41
PTGES O14684 9/20 0.40
BACE1 P56817 1/20 0.38
MPO P05164 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
PABPC1 P11940 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPM1 P06748 1/20 0.36
ALK Q9UM73 1/20 0.36
HRH4 Q9H3N8 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
SCHEMBL29531805 1.00 NT5E (0.46) NT5EACHEHTTPTGESBACE1
SCHEMBL31218411 0.84 NT5E (0.64) NT5EACHEHTTCYP1A2CYP2C19
SCHEMBL4015829 0.84 NT5E (0.64) NT5EACHEHTTCYP1A2CYP2C19
SCHEMBL11346168 0.81 BACE1 (0.53) NT5EACHEHTTPTGESBACE1
SCHEMBL31494112 0.81 ACHE (0.41) NT5EACHEHTTPTGESBACE1
SCHEMBL8135661 0.81 ACHE (0.41) NT5EACHEHTTPTGESBACE1
SCHEMBL7424524 0.81 CYP2C19 (0.49) NT5EACHEHTTPTGESBACE1
SCHEMBL8141883 0.79 ACHE (0.40) NT5EACHEHTTPTGESBACE1
SCHEMBL5638415 0.79 POLB (0.50) ACHEMPO
SCHEMBL30415489 0.79 POLB (0.50) ACHEMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066335-A1 POLYSUBSTITUTED 4-HYDROXYPYRIDINE AND 4-HYDROXYQUINOLINE DERIVATIVES AS GPR84 ANTAGONISTS UNIVERSITY OF COPENHAGEN (DK) 2025-02-27 US disclosed
US-20250059205-A1 Heterocyclic Compounds and Methods of Use AMGEN INC. (US) 2025-02-20 US disclosed
US-20240199613-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-06-20 US disclosed
EP-4355743-A1 POLYSUBSTITUTED 4-HYDROXYPYRIDINE AND 4-HYDROXYQUINOLINE DERIVATIVES AS GPR84 ANTAGONISTS University of Copenhagen (DK) 2024-04-24 EP disclosed
EP-4329757-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2024-03-06 EP disclosed
CN-117561063-A Heterocyclic compounds and methods of use 安进公司 2024-02-13 CN disclosed
EP-4308564-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20150344521-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2015-12-03 US disclosed
US-9145441-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2015-09-29 US disclosed
US-9145441-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2015-09-29 US disclosed
US-9145441-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2015-09-29 US disclosed
EP-2861604-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2015-04-22 EP disclosed
US-20140030221-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2014-01-30 US disclosed
US-20140030221-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2014-01-30 US disclosed
US-20140030221-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2014-01-30 US disclosed
WO-2013185103-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2013-12-12 WO disclosed
WO-2002026713-A1 ANTIPARASITIC COMPOUNDS KING'S COLLEGE LONDON (GB) 2002-04-04 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 (6 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-20140030221-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS NT5E 4242/4885ACHE 3520/4885HTT 4373/4885
US-20240199613-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, KLK5 NT5E 2543/4885ACHE 2097/4885HTT 4443/4885
US-20250059205-A1 Heterocyclic Compounds and Methods of Use KRAS, NRAS, HRAS NT5E 4775/4885ACHE 4813/4885HTT 1429/4885
US-20250066335-A1 POLYSUBSTITUTED 4-HYDROXYPYRIDINE AND 4-HYDROXYQUINOLINE DERIVATIVES AS GPR84 ANTAGONISTS GPR84, GPR88, GPR65 NT5E 2651/4885ACHE 2478/4885HTT 659/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 NT5E 321/4885ACHE 206/4885HTT 19/4885
US-20150344521-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS NT5E 4242/4885ACHE 3520/4885HTT 4373/4885

“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.