Sugi Predict

Sugi Predict / Compounds / SCHEMBL9922003

SCHEMBL9922003

SCHEMBL9922003

Cc1cccc(C)c1CCC#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ EGFR P00533 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ACHE P22303 1/20 0.33

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
SCHEMBL9921647 0.86 MEN1 (0.42) KMT2AMEN1EGFRSMN1; SMN2TSHR
SCHEMBL12490636 0.86 TSHR (0.50) KMT2AMEN1EGFRSMN1; SMN2TSHR
SCHEMBL28122164 0.86 MEN1 (0.42) KMT2AMEN1EGFRSMN1; SMN2TSHR
SCHEMBL9918363 0.83 GABRA1 (0.44) KMT2AMEN1EGFRSMN1; SMN2TSHR
SCHEMBL24594990 0.81 ALDH1A1 (0.42) KMT2AMEN1EGFRSMN1; SMN2TSHR
SCHEMBL11782133 0.80 KMT2A (0.38) KMT2AMEN1EGFRSMN1; SMN2TSHR
SCHEMBL9376279 0.80 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1HTTCYP1A2
SCHEMBL11701173 0.78 MEN1 (0.36) KMT2AMEN1EGFRSMN1; SMN2ALDH1A1
SCHEMBL1612298 0.77 CYP2A6 (0.35) TSHRALDH1A1CYP1A2CYP2A6CA1
SCHEMBL8093986 0.77 CYP2A6 (0.47) TSHRALDH1A1MAPTHTTCYP1A2

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 4 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
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 — — US disclosed
EP-0064820-A1 Substituted imidazole and imidazoline derivatives and their preparation and use Farmos-Yhtyma Oy (FI) 1982-11-17 — — EP 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 (3 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 KMT2A 774/4885MEN1 888/4885EGFR 1346/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 KMT2A 533/4885MEN1 436/4885EGFR 657/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 KMT2A 628/4885MEN1 440/4885EGFR 652/4885

“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.