SCHEMBL9918200

SCHEMBL9918200

Cc1ccc(C(CC#N)C(C)C)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RX7 Q99572 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH1 P35367 1/20 0.33
HCRTR2 O43614 2/20 0.32
S1PR3 Q99500 1/20 0.31
PBRM1 Q86U86 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 1/20 0.30
ESR1 P03372 2/20 0.30
ESR2 Q92731 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL9918856 0.85 MEN1 (0.36) MEN1LMNAKMT2AP2RX7CYP1A2
SCHEMBL12251237 0.83 CYP3A4 (0.36) KCNH2
SCHEMBL12251238 0.83 EPHX2 (0.34) PBRM1
SCHEMBL9918199 0.81 NR3C1 (0.38) MEN1KMT2AHRH1PBRM1
SCHEMBL9921707 0.80 TRPV4 (0.39) P2RX7P2RX3P2RX2DGKZ
SCHEMBL12251226 0.78 CYP19A1 (0.45) LMNAKCNH2
SCHEMBL9918221 0.73 CYP19A1 (0.38)
SCHEMBL12251224 0.73 CYP3A4 (0.36) LMNACYP1A2CYP2C19ESR1ESR2
SCHEMBL19762907 0.72 TAAR1 (0.55) MEN1LMNAKMT2ACYP1A2CYP2C19
SCHEMBL17108555 0.71 LMNA (0.40) MEN1LMNAKMT2AP2RX7CYP1A2

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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20120149662-A1 Heterocyclic Compounds 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 (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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 MEN1 436/4885LMNA 4684/4885KMT2A 533/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 MEN1 440/4885LMNA 4638/4885KMT2A 628/4885

“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.