SCHEMBL2073149

SCHEMBL2073149

O=C(Nc1cc(N2CCN(C3CCCCC3)CC2)ncn1)NC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.46
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 4/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.40
ATM Q13315 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL2074719 1.00 HRH4 (0.54) HRH4SMN1; SMN2HRH3ALDH1A1RAB9A
SCHEMBL2073319 1.00 HRH4 (0.54) HRH4SMN1; SMN2HRH3ALDH1A1RAB9A
SCHEMBL2075711 0.99 HRH4 (0.53) HRH4SMN1; SMN2HRH3ALDH1A1RAB9A
SCHEMBL2074070 0.83 HRH4 (0.56) HRH4SMN1; SMN2HRH3ALDH1A1RAB9A
SCHEMBL2074482 0.83 KIT (0.46) SMN1; SMN2ALDH1A1RAB9A
SCHEMBL2076011 0.83 LMNA (0.48) HRH4SMN1; SMN2HRH3ALDH1A1RAB9A
SCHEMBL2074480 0.83 HRH4 (0.55) HRH4SMN1; SMN2ALDH1A1RAB9ACYP3A4
SCHEMBL2074954 0.83 HRH4 (0.55) HRH4SMN1; SMN2ALDH1A1RAB9ACYP3A4
SCHEMBL2075259 0.83 HRH4 (0.55) HRH4SMN1; SMN2ALDH1A1RAB9ACYP3A4
SCHEMBL2074889 0.83 HRH4 (0.55) HRH4SMN1; SMN2ALDH1A1RAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902184-B2 Piperazinyl pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US disclosed
CN-101448820-A Piperidinyl pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2009-06-03 CN disclosed
EP-2032554-A1 PIPERIDINYL PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-11 EP disclosed
WO-2007137955-A1 PIPERIDINYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO disclosed
US-20070281921-A1 Piperidinyl pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2007-12-06 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-20070281921-A1 Piperidinyl pyrimidine derivatives HRH2, P2RX5, P2RX3 HRH4 4/4885SMN1; SMN2 4105/4885HRH3 8/4885

“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.