SCHEMBL19654056

SCHEMBL19654056

CCc1ccc(CCc2ccccn2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ HRH3 Q9Y5N1 5/20 0.51
▸ HRH1 P35367 2/20 0.48
▸ LMNA P02545 2/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL13763363 0.80 CYP1A2 (0.65) KDM4ETSHRPOLBTDP1CYP1A2
SCHEMBL2619346 0.79 HRH3 (0.59) KDM4ETSHRPOLBTDP1CYP1A2
SCHEMBL18513634 0.79 HRH3 (0.51) KDM4EPOLBCYP1A2CYP2D6HRH3
SCHEMBL230753 0.78 HRH1 (0.73) TDP1CYP1A2CYP2D6HRH3HRH1
SCHEMBL29485678 0.78 HRH1 (0.73) TDP1CYP1A2CYP2D6HRH3HRH1
SCHEMBL11324240 0.77 HRH3 (0.47) KDM4ETSHRPOLBTDP1CYP1A2
SCHEMBL30398570 0.76 HRH3 (0.55) KDM4EPOLBCYP1A2CYP2D6HRH3
SCHEMBL487617 0.76 HRH3 (0.55) KDM4EPOLBCYP1A2CYP2D6HRH3
Bromide SCHEMBL28641396 0.76 HRH1 (0.70) TDP1CYP1A2CYP2D6HRH3HRH1
SCHEMBL3840575 0.76 HRH3 (0.56) KDM4ETSHRPOLBTDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340597-A1 LONG ACTING PHARMACEUTICAL COMPOSITION OF PROTEASE INHIBITOR TAIMED BIOLOGICS, INC. (TW) 2017-11-30 — — 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 (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-20170340597-A1 LONG ACTING PHARMACEUTICAL COMPOSITION OF PROTEASE INHIBITOR PRSS1, DNPEP, SERPINB1 KDM4E 841/4885TSHR 4771/4885POLB 1435/4885

“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.

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