SCHEMBL2377932

SCHEMBL2377932

O=C(Nc1cnc2[nH]ccc2n1)Nc1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
NPC1 O15118 3/20 0.54
KDM4E B2RXH2 3/20 0.54
JAK2 O60674 6/20 0.54
JAK3 P52333 5/20 0.54
JAK1 P23458 3/20 0.54
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CASP3 P42574 3/20 0.48
SENP7 Q9BQF6 3/20 0.48
SENP8 Q96LD8 2/20 0.48
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
GRIK1 P39086 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
SCHEMBL2377902 0.85 NPC1 (0.54) RAB9AMAPTNPC1JAK2JAK3
SCHEMBL2377650 0.82 JAK2 (0.51) RAB9AMEN1KMT2ANPC1KDM4E
SCHEMBL2377031 0.82 JAK2 (0.58) RAB9AMEN1KMT2ANPC1JAK2
SCHEMBL12296758 0.77 JAK3 (0.62) JAK2JAK3JAK1
SCHEMBL12970653 0.75 JAK3 (0.59) JAK2JAK3JAK1
SCHEMBL2377622 0.75 JAK2 (0.54) KDM4EJAK2JAK3JAK1
SCHEMBL27838157 0.74 JAK3 (0.58) JAK2JAK3JAK1
SCHEMBL12245475 0.74 KDM4E (0.59) KDM4EJAK2JAK3JAK1
SCHEMBL2376301 0.74 JAK2 (0.58) JAK2JAK3JAK1
SCHEMBL2378448 0.74 JAK3 (0.58) RAB9ANPC1KDM4EJAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102232076-A Pyrrolopyrazinyl urea kinase inhibitors HOFFMANN LA ROCHE 2011-11-02 CN claimed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US claimed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 US claimed
CN-102232076-A Pyrrolopyrazinyl urea kinase inhibitors HOFFMANN LA ROCHE 2011-11-02 CN disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 US disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 US disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 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-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors JAK1, JAK3, ULK3 RAB9A 2557/4885MAPT 2618/4885MEN1 3903/4885

“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.