SCHEMBL6176904

SCHEMBL6176904

Cc1cccc2ccc(C=O)nc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.63
PFKFB3 Q16875 1/20 0.52
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AR P10275 1/20 0.41
F2R P25116 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
ATM Q13315 1/20 0.39
FGFR4 P22455 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
TSHR P16473 1/20 0.38
GLO1 Q04760 1/20 0.37

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
SCHEMBL31596100 0.84 CCR1 (0.53) CCR1PFKFB3ALDH1A1KDM4EMEN1
SCHEMBL7090032 0.84 PFKFB3 (0.47) CCR1PFKFB3ALDH1A1KDM4EMEN1
SCHEMBL1088335 0.79 CCR1 (1.00) CCR1ALDH1A1KDM4EMEN1NPC1
SCHEMBL6177928 0.78 CCR1 (0.65) CCR1PFKFB3ALDH1A1KDM4EMEN1
SCHEMBL11802591 0.78 CCR1 (0.59) CCR1PFKFB3ALDH1A1KDM4EMEN1
SCHEMBL25259742 0.77 CCR1 (0.49) CCR1PFKFB3ALDH1A1KDM4EMEN1
SCHEMBL339548 0.77 CCR1 (0.63) CCR1ALDH1A1KDM4EMEN1NPC1
SCHEMBL29406155 0.77 KDM4E (0.64) CCR1ALDH1A1KDM4EMEN1NPC1
SCHEMBL2134303 0.77 CCR1 (0.63) CCR1ALDH1A1KDM4EMEN1NPC1
SCHEMBL29694379 0.77 KDM4E (0.64) CCR1ALDH1A1KDM4EMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238415-A1 POLYMER, METAL REMOVAL COMPOSITION, AND METHOD OF REMOVING METAL IONS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2021-08-05 US disclosed
CN-106661051-A Antibacterial compounds 莱德克斯制药公共有限公司 2017-05-10 CN disclosed
EP-2678329-B1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-11-18 EP disclosed
US-8889704-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2014-11-18 US disclosed
US-20140005213-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-01-02 US disclosed
EP-2678329-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-01-01 EP disclosed
WO-2012154274-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-15 WO disclosed
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 EP disclosed
EP-1559709-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same Eisai Co., Ltd. (JP) 2005-08-03 EP disclosed
EP-0838453-B1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2005-04-27 EP disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 US disclosed
US-20030144276-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same EISAI CO. LTD. 2003-07-31 US disclosed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 WO disclosed
US-6541474-B2 Administering a pharmaceutically effective dose of the heterocycle-containing carboxylic acid derivative or salt to a patient suffering form acute promyelocytic leukemia EISAI CO. LTD. (JP) 2003-04-01 US disclosed
US-20020103234-A1 Heterocycl-containing carboxylic acid derivative and drug containing the same EISAI CO. LTD. 2002-08-01 US disclosed
US-20020032202-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same EISAI CO. LTD. 2002-03-14 US disclosed
US-6329402-B1 FOR THERAPY OF ACUTE PROMYELOCYTIC LEUKEMIA EISAI CO., LTD. (JP) 2001-12-11 US disclosed
US-5977108-A LEUKEMIA EISAI CO., LTD (JP) 1999-11-02 US disclosed
EP-0838453-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 1998-04-29 EP disclosed
US-3959473-A DIURETIC U.S. PHILIPS CORPORATION (US) 1976-05-25 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 (5 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-20020103234-A1 Heterocycl-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG CCR1 307/4885PFKFB3 4377/4885ALDH1A1 44/4885
US-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E CCR1 1901/4885PFKFB3 3585/4885ALDH1A1 1076/4885
US-20140005213-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 CCR1 3163/4885PFKFB3 1100/4885ALDH1A1 2688/4885
US-20030144276-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG CCR1 319/4885PFKFB3 4462/4885ALDH1A1 37/4885
US-20020032202-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG CCR1 319/4885PFKFB3 4462/4885ALDH1A1 37/4885

“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.