SCHEMBL9923325

SCHEMBL9923325

Cc1ccc(C#N)c2c1CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
USP2 O75604 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NOTUM Q6P988 2/20 0.33
HTR2A P28223 1/20 0.32

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
SCHEMBL13453305 0.93 TSHR (0.43) TSHRALDH1A1KDM4EMAPTALOX15
SCHEMBL13215884 0.79 TSHR (0.40) TSHRALDH1A1KDM4EMAPTALOX15
SCHEMBL14481407 0.79 CYP1A2 (0.38) TSHRALDH1A1KDM4EMAPTNPSR1
SCHEMBL19705560 0.78 HTR2C (0.44) TSHRHTR2AHTR2CHTR2B
SCHEMBL17815390 0.78 ALDH1A1 (0.44) TSHRALDH1A1KDM4EMAPTALOX15
SCHEMBL19375075 0.76 KDM4E (0.38) TSHRALDH1A1KDM4ECYP11B2NOTUM
SCHEMBL96793 0.72 CRBN (0.35) TSHRALDH1A1KDM4EHSD17B10NPC1
SCHEMBL29185490 0.71 MAOB (0.34) TSHRKDM4EL3MBTL1TDP1NOTUM
SCHEMBL15652171 0.71 KDM4E (0.35) TSHRALDH1A1KDM4EMAPTUSP2
SCHEMBL9920186 0.71 AR (0.34) TSHRNOTUMHTR2AHTR2CHTR2B

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
WO-2023016518-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-02-16 WO disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 TSHR 2870/4885ALDH1A1 1632/4885KDM4E 449/4885

“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.