SCHEMBL2633028

SCHEMBL2633028

CCc1ccc2cc(C(=O)N(C)C)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2A6 P11509 1/20 0.48
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DHODH Q02127 1/20 0.46
NCEH1 Q6PIU2 1/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
KLKB1 P03952 1/20 0.43
PRSS1 P07477 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
ACHE P22303 1/20 0.43
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
SCHEMBL9193164 0.85 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2NCEH1PLAU
SCHEMBL31418383 0.82 DHODH (0.57) CYP1A2ALDH1A1HPGDSMN1; SMN2DHODH
SCHEMBL21750425 0.82 DHODH (0.57) CYP1A2ALDH1A1HPGDSMN1; SMN2DHODH
SCHEMBL4485529 0.81 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL21750409 0.81 CCNC (0.47) ALDH1A1HPGDSMN1; SMN2DHODHNCEH1
SCHEMBL6803029 0.80 CYP2A6 (0.53) CYP1A2CYP2A6AKR1C3AKR1C2ALDH1A1
SCHEMBL5558051 0.80 ALDH1A1 (0.64) CYP1A2CYP2A6AKR1C3AKR1C2ALDH1A1
SCHEMBL21756322 0.80 CCNC (0.51) CYP1A2ALDH1A1HPGDSMN1; SMN2DHODH
SCHEMBL322040 0.79 KMT2A (0.53) HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL12125696 0.79 LCK (0.56) CYP1A2CYP2A6AKR1C3AKR1C2ALDH1A1

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-8349860-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-8318755-B2 Inhibitors of SYK and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-11-27 US disclosed
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-26 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-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 CYP1A2 1102/4885CYP2A6 2328/4885AKR1C3 3361/4885
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 CYP1A2 1102/4885CYP2A6 2328/4885AKR1C3 3361/4885

“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.