SCHEMBL5954847

SCHEMBL5954847

COc1cccc(-c2cnn(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
EGLN1 Q9GZT9 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
JAK2 O60674 1/20 0.38
TP53 P04637 3/20 0.37
TSHR P16473 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 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
SCHEMBL5955556 0.88 CHRNB2 (0.41) NPC1RAB9ABRD4CREBBPSMN1; SMN2
SCHEMBL5955698 0.87 CHRNA7 (0.38) KMT2ABRD4CREBBPGRIN2BCHRNA7
SCHEMBL5955612 0.86 MEN1 (0.40) KMT2ABRD4CREBBPGRIN2BCHRNB2
SCHEMBL5955510 0.86 ALPI (0.41) KMT2AALDH1A1NPC1BRD4CREBBP
SCHEMBL5955655 0.86 NAMPT (0.38) KMT2ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL6827536 0.83 KMT2A (0.40) KMT2AJAK1JAK3ALDH1A1NPC1
SCHEMBL5954717 0.82 CHRNA7 (0.40) JAK3EGLN1BRD4CREBBPCHRNB2
SCHEMBL5954731 0.82 ALDH1A1 (0.39) KMT2AALDH1A1NPC1RAB9ABRD4
SCHEMBL5954841 0.82 CHRNA7 (0.41) CHRNB2CHRNA4CHRNA7
SCHEMBL5373607 0.82 HTR3A (0.46) KMT2ACHRNB2CHRNA4HTR3ACHRNA7

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-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease PFIZER INC 2006-06-01 US claimed
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 US claimed

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-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease CYP7B1, P2RX7, CYP3A7 KMT2A 3838/4885JAK1 769/4885JAK3 1573/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 KMT2A 4136/4885JAK1 98/4885JAK3 360/4885

“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.