SCHEMBL6992568

SCHEMBL6992568

O=Cc1ccc2ccnc(Cl)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ PARG Q86W56 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP2A6 P11509 5/20 0.38
▸ HIPK2 Q9H2X6 1/20 0.38
▸ PTGER4 P35408 1/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ VCAM1 P19320 1/20 0.36
▸ PTGS2 P35354 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ALDH1A3 P47895 1/20 0.35

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
SCHEMBL26928523 0.85 ALDH1A1 (0.44) MAPTLMNACYP3A4APEX1MAPK1
SCHEMBL6977852 0.80 F12 (0.48) MAPTALDH1A1KDM4ECYP2A6KIF11
SCHEMBL6991395 0.80 RELA (0.49) MAPTLMNACYP3A4APEX1MAPK1
SCHEMBL6991399 0.80 RELA (0.49) MAPTLMNACYP3A4APEX1MAPK1
SCHEMBL1317870 0.76 LMNA (0.50) MAPTLMNACYP3A4APEX1MAPK1
SCHEMBL29786977 0.76 LMNA (0.50) MAPTLMNACYP3A4APEX1MAPK1
SCHEMBL11761067 0.75 KDM4E (0.46) MAPTCYP3A4MAPK1ALDH1A1HSD17B10
SCHEMBL25368878 0.73 MAPT (0.47) MAPTLMNACYP3A4APEX1MAPK1
SCHEMBL13334192 0.73 LMNA (0.47) MAPTLMNACYP3A4APEX1MAPK1
SCHEMBL664591 0.73 LMNA (0.47) MAPTLMNACYP3A4APEX1MAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018011-B2 Macrocyclic compounds and compositions, and methods of preparing and using the same KURA ONCOLOGY, INC. (US) 2024-06-25 — — US disclosed
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME WUXI APPTEC (HONG KONG) LIMITED (CN) 2023-10-12 — — US disclosed
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME WUXI APPTEC (HONG KONG) LIMITED (CN) 2023-10-12 — — US disclosed
EP-1023268-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LTD (GB) 2003-05-21 — — EP disclosed
US-6248738-B1 ANTIULCER AGENTS, ANGIOGENESIS INHIBITORS, ANTIMETASTASIS AGENTS, ANTITUMOR AGENTS PFIZER INC. 2001-06-19 — — US disclosed
EP-1023268-A1 ISOQUINOLINES AS UROKINASE INHIBITORS Pfizer Limited (GB) 2000-08-02 — — EP disclosed
WO-1999020608-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LIMITED (GB) 1999-04-29 — — 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 (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-12018011-B2 Macrocyclic compounds and compositions, and methods of preparing and using the same FNTA, FDPS, GGPS1 MAPT 4146/4885LMNA 780/4885CYP3A4 407/4885
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME FNTA, FDPS, GGPS1 MAPT 4146/4885LMNA 780/4885CYP3A4 407/4885

“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.

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