SCHEMBL21765014

SCHEMBL21765014

C=NC(=N)c1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 2/20 0.38
ACHE P22303 2/20 0.38
HPGD P15428 1/20 0.37
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTT P42858 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 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
SCHEMBL16127175 0.80 TSHR (0.39) MAOAMAOBCYP3A4CYP2C19TSHR
SCHEMBL20025577 0.76 MAOA (0.44) MAOAMAOBTSHRACHEHPGD
SCHEMBL26936333 0.75 ACHE (0.43) MAOAMAOBCYP3A4CYP2C19TSHR
SCHEMBL4441911 0.74 CYP3A4 (0.56) MAOAMAOBCYP3A4CYP2C19TSHR
SCHEMBL12894063 0.74 SMN1; SMN2 (0.36) MAOAMAOBCYP3A4CYP2C19TSHR
SCHEMBL27374178 0.74 ERCC5 (0.41) CYP3A4CYP2C19TSHRHPGDERCC5
SCHEMBL8219584 0.72 NR4A1 (0.50) CYP3A4TSHRHPGDCYP2D6NPC1
SCHEMBL22343688 0.72 MAOA (0.42) MAOAMAOBTSHRACHEHPGD
SCHEMBL6051363 0.72 TSHR (0.45) MAOAMAOBCYP3A4CYP2C19TSHR
SCHEMBL14141082 0.71 POLB (0.39) MAOAMAOBCYP3A4CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186554-B2 Non-fused tricyclic compounds VIVACE THERAPEUTICS, INC. (US) 2021-11-30 US disclosed
US-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2020-02-27 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 (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-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS YAP1, MYC, TEAD2 MAOA 4262/4885MAOB 4177/4885CYP3A4 3918/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 MAOA 4262/4885MAOB 4177/4885CYP3A4 3918/4885

“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.