SCHEMBL197053

SCHEMBL197053

Brc1cccc2ccncc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.53
AXL P30530 2/20 0.47
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
RAD52 P43351 1/20 0.40
CCNT1 O60563 1/20 0.40
PIM1 P11309 1/20 0.40
CDK9 P50750 1/20 0.40
HASPIN Q8TF76 1/20 0.40
NOS1 P29475 2/20 0.39
BACE1 P56817 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL30343676 1.00 TNF (0.53) TNFAXLKDM4ELMNACYP1A2
SCHEMBL28013422 0.98 TNF (0.52) TNFAXLKDM4ELMNACYP1A2
Ammonia Solution, Strong SCHEMBL28213837 0.98 TNF (0.52) TNFAXLKDM4ELMNACYP1A2
Ammonia Solution, Strong SCHEMBL28213840 0.96 TNF (0.50) TNFAXLKDM4ELMNACYP1A2
SCHEMBL30368877 0.83 KDM4E (0.59) TNFAXLKDM4ELMNACYP1A2
SCHEMBL196671 0.83 KDM4E (0.59) TNFAXLKDM4ELMNACYP1A2
SCHEMBL28109084 0.81 KDM4E (0.57) TNFAXLKDM4ELMNACYP1A2
SCHEMBL30477305 0.76 TNF (0.55) TNFKDM4ELMNACYP1A2CYP3A4
SCHEMBL29862478 0.76 IMPDH2 (0.47) TNFAXLKDM4ELMNACYP1A2
SCHEMBL19656321 0.76 IMPDH2 (0.47) TNFAXLKDM4ELMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108003100-A A kind of synthetic method of the nitrogenous heterocyclic aminated compounds of pharmaceutical intermediate 北京六合宁远科技有限公司 2018-05-08 CN claimed
CN-104447547-B Synthesis method of 4-aminoisoquinoline-8-methyl formate 苏州康润医药有限公司 2017-04-19 CN claimed
CN-105669547-A Preparation method of 8-nitro-1,2,3,4-tetrahydroisoquinoline 苏州大学 2016-06-15 CN claimed
CN-104447547-A Synthesis method of 4-aminoisoquinoline-8-methyl formate SUZHOU KANGRUN PHARMACEUTICALS INC 2015-03-25 CN claimed
CN-103772278-A Important tetrahydroisoquinoline derivative midbody and synthesis method thereof Hunan huateng pharmaceutical co ltd 2014-05-07 CN claimed
US-6500954-B1 ONE POT PROCESS OF BROMINATION AND NITRATION OF ISOQUINOLINE TO PRODUCE SUCH AS 5-BROMO-8-NITROISOQUINOLINE NEUROSEARCH A/S (DK) 2002-12-31 US claimed
EP-1089976-A1 METHOD OF PREPARING 5- OR 8-BROMOISOQUINOLINE DERIVATIVES NEUROSEARCH A/S (DK) 2001-04-11 EP claimed
WO-1999067218-A2 METHOD OF PREPARING 5- OR 8-BROMOISOQUINOLINE DERIVATIVES NEUROSEARCH A/S (DK) 1999-12-29 WO claimed
EP-4743457-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 FOR THERAPEUTIC USE 4M THERAPEUTICS INC. (US) 2026-05-20 EP disclosed
CN-121930170-A Pharmaceutical intermediate with isoquinoline ring and synthesis method thereof 南通大学 2026-04-28 CN disclosed
US-20260070945-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2026-03-12 US disclosed
US-20260022142-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2026-01-22 US disclosed
EP-4387963-B1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 REDX PHARMA LTD (GB) 2025-12-24 EP disclosed
US-20250367193-A1 BIFUNCTIONAL COMPOUNDS CONTAINING SUBSTITUTED PYRIMIDINE DERIVATIVES FOR DEGRADING CYCLIN-DEPENDENT KINASE 2 VIA UBIQUITIN PROTEASOME PATHWAY NIKANG THERAPEUTICS INC (DE) 2025-12-04 US disclosed
US-4927826-A Cycloproylpropenamides useful as platelet activing factor (PAF) antagonists HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
US-4927838-A CARDIOVASCULAR DISORDERS HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
US-4916145-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1990-04-10 US disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4786646-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1988-11-22 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 (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-20260022142-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 TNF 1139/4885AXL 2254/4885KDM4E 522/4885
US-20260070945-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 TNF 1275/4885AXL 2165/4885KDM4E 587/4885
US-20250367193-A1 BIFUNCTIONAL COMPOUNDS CONTAINING SUBSTITUTED PYRIMIDINE DERIVATIVES FOR DEGRADING CYCLIN-DEPENDENT KINASE 2 VIA UBIQUITIN PROTEASOME PATHWAY CDK2, SKP2, CCNK TNF 3795/4885AXL 2017/4885KDM4E 1800/4885

“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.