SCHEMBL21882934

SCHEMBL21882934

COc1ccc(N(C)c2cc(C)nc3ccccc23)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.48
EGFR P00533 2/20 0.46
PDGFRB P09619 2/20 0.46
KDR P35968 2/20 0.46
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC11 Q96DB2 2/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45

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
SCHEMBL30366693 0.89 LMNA (0.49) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL21834371 0.85 HDAC11 (0.61) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL30444040 0.85 HDAC11 (0.61) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL30367171 0.81 POLB (0.48) EGFRPDGFRBKDRGAALMNA
SCHEMBL30367104 0.77 CYP1A2 (0.50) NCF1EGFRPDGFRBKDRCYP1A2
SCHEMBL30367038 0.77 CYP1A2 (0.50) NCF1EGFRPDGFRBKDRLMNA
SCHEMBL30367213 0.76 CYP1A2 (0.49) NCF1EGFRPDGFRBKDRLMNA
SCHEMBL30945030 0.74 BACE1 (0.47) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL29230150 0.74 BACE1 (0.47) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL24224674 0.74 HDAC8 (0.62) EGFRPDGFRBKDRHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3853208-B1 DRUG CONJUGATE COMPRISING QUINOLINE DERIVATIVES CENTRE NAT RECH SCIENT (FR) 2023-06-07 EP disclosed
US-20220023435-A1 DRUG CONJUGATE COMPRISING QUINOLINE DERIVATIVES Universite Paris-Saclay (FR) 2022-01-27 US disclosed
WO-2020058290-A1 DRUG CONJUGATE COMPRISING QUINOLINE DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-03-26 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 (1 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-20220023435-A1 DRUG CONJUGATE COMPRISING QUINOLINE DERIVATIVES HRH3, ABCC3, ORC3 NCF1 1366/4885EGFR 1081/4885PDGFRB 4053/4885

“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.