SCHEMBL9920398

SCHEMBL9920398

CCOC(=O)c1nncn1N

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
POLB P06746 1/20 0.49
CYP1A2 P05177 3/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 7/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL14487034 0.81 KDM4E (0.44) HPGDPOLBCYP1A2LMNATSHR
SCHEMBL24387227 0.72 ALDH1A1 (0.45) HPGDPOLBCYP1A2LMNACYP3A4
SCHEMBL151256 0.72 ALDH1A1 (0.42) HPGDCYP1A2LMNACYP3A4MAOA
Hydrochloric Acid SCHEMBL22322020 0.71 ALDH1A1 (0.41) HPGDCYP1A2LMNACYP3A4MAOA
Hydrochloric Acid SCHEMBL18229865 0.71 ALDH1A1 (0.41) HPGDCYP1A2LMNACYP3A4MAOA
SCHEMBL7082785 0.70 TP53 (0.42) HPGDCYP1A2LMNACYP3A4TSHR
SCHEMBL9920433 0.70 MAPK1 (0.44) HPGDCYP1A2LMNACYP3A4MAOA
SCHEMBL31415323 0.70 LMNA (0.41) HPGDPOLBCYP1A2LMNACYP3A4
SCHEMBL18232361 0.69 KDM4E (0.42) HPGDCYP1A2LMNACYP3A4MAOA
SCHEMBL9920427 0.69 RAB9A (0.42) HPGDCYP1A2LMNACYP3A4MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives 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
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
WO-2011014817-A1 PYRROLO [1, 2-B] PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-02-03 WO disclosed
WO-2010014930-A2 THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-02-04 WO 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-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 HPGD 3428/4885POLB 1848/4885CYP1A2 2609/4885
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 HPGD 858/4885POLB 1708/4885CYP1A2 1088/4885

“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.