SCHEMBL6468439

SCHEMBL6468439

CCc1cccn2cnnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CREBBP Q92793 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
MLLT1 Q03111 1/20 0.32
MGLL Q99685 1/20 0.32
TBXAS1 P24557 1/20 0.31
TOP2A P11388 1/20 0.31
KCNH2 Q12809 1/20 0.31
SCN5A Q14524 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL9935403 0.85 POLB (0.35) TP53ALOX15TSHRCREBBPKMT2A
SCHEMBL21105599 0.81 NR1I2 (0.40) KMT2AMEN1POLBPDE1APDE1B
SCHEMBL18760575 0.81 RIPK1 (0.33) TP53POLBPDE1APDE1BPDE1C
Hydrochloric Acid SCHEMBL21067209 0.80 NR1I2 (0.39) POLBPDE1APDE1BPDE1CTBXAS1
SCHEMBL4866590 0.79 DHFR (0.44) KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL177192 0.78 PDE1A (0.34) PDE1APDE1BPDE1CGABRA1GABRB2
SCHEMBL2789584 0.76 KDM4E (0.34) KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL21238481 0.75 MEN1 (0.34) TP53ALOX15TSHRCREBBPKMT2A
SCHEMBL21067154 0.75 PDE1A (0.33) PDE1APDE1BPDE1C
SCHEMBL6849253 0.75 ALDH1A1 (0.43) TP53TSHRALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022086920-A1 GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE (QPCTL) PROTEIN INHIBITORS AND USES THEREOF BLACKSMITH MEDICINES, INC. (US) 2022-04-28 WO disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 US disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 TP53 3996/4885ALOX15 262/4885TSHR 1383/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD TP53 1670/4885ALOX15 1123/4885TSHR 4662/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 TP53 2666/4885ALOX15 3845/4885TSHR 3360/4885

“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.