SCHEMBL1315786

SCHEMBL1315786

Clc1cccc2c(Cl)nccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.59
CYP2A6 P11509 3/20 0.59
MAPT P10636 4/20 0.57
LMNA P02545 3/20 0.57
MAPK1 P28482 2/20 0.57
CYP3A4 P08684 2/20 0.57
APEX1 P27695 1/20 0.57
PMP22 Q01453 1/20 0.57
NR4A2 P43354 2/20 0.47
ADRA2A P08913 1/20 0.43
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
HSP90AA1 P07900 2/20 0.38

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
SCHEMBL30892029 1.00 CYP1A2 (0.59) CYP1A2CYP2A6MAPTLMNAMAPK1
Hydrochloric Acid SCHEMBL6999839 0.98 CYP1A2 (0.56) CYP1A2CYP2A6MAPTLMNAMAPK1
SCHEMBL12266517 0.83 LMNA (0.60) MAPTLMNAMAPK1CYP3A4APEX1
SCHEMBL3368704 0.80 LMNA (0.55) CYP1A2CYP2A6MAPTLMNAMAPK1
SCHEMBL15116438 0.78 CYP1A2 (0.54) CYP1A2CYP2A6MAPTLMNAMAPK1
SCHEMBL2380637 0.78 CYP3A4 (0.54) CYP1A2MAPTLMNAMAPK1CYP3A4
SCHEMBL10686979 0.78 CYP1A2 (0.54) CYP1A2CYP2A6MAPTNR4A2ADRA2A
SCHEMBL12055251 0.78 CYP1A2 (0.54) CYP1A2CYP2A6MAPTLMNAMAPK1
SCHEMBL1315767 0.78 MAPT (0.53) CYP1A2CYP2A6MAPTLMNAMAPK1
SCHEMBL5663372 0.78 MAPT (0.53) CYP1A2MAPTLMNAMAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250090540-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2025-03-20 US disclosed
WO-2025016273-A1 ISOQUINOLINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USES OF ISOQUINOLINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION 拜西欧斯(北京)生物技术有限公司 2025-01-23 WO disclosed
EP-4399196-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2024-07-17 EP disclosed
CN-118201896-A PI 3K-alpha inhibitors and methods of use thereof 传达治疗有限公司 2024-06-14 CN disclosed
WO-2023039532-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-03-16 WO disclosed
EP-2499127-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 EP disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
WO-2005051410-A9 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-07-28 WO disclosed
WO-2005051410-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-09 WO disclosed
WO-2005051410-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-09 WO disclosed
US-20050090432-A1 Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2005-04-28 US disclosed
EP-1505963-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
US-20040106559-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 US disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 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 (3 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-20050090432-A1 Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus VIP, QPCT, HCCS CYP1A2 2722/4885CYP2A6 2940/4885MAPT 4318/4885
US-20040106559-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RNASE1 CYP1A2 138/4885CYP2A6 325/4885MAPT 4314/4885
US-20250090540-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF PIK3CA, PIK3CB, PIK3CD CYP1A2 3992/4885CYP2A6 3489/4885MAPT 3881/4885

“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.