SCHEMBL2076560

SCHEMBL2076560

CCN1CCN(c2cc(NC(=O)Nc3ccc(F)cc3)ncn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 6/20 0.56
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HDAC3 O15379 2/20 0.52
ABL1 P00519 2/20 0.52
BCR P11274 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
EGFR P00533 1/20 0.52
ERBB3 P21860 1/20 0.52
RECQL P46063 1/20 0.51

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
SCHEMBL2076559 0.86 RAB9A (0.51) KITRAB9AALDH1A1SMN1; SMN2HDAC3
SCHEMBL2072611 0.86 SMN1; SMN2 (0.73) KITRAB9AALDH1A1SMN1; SMN2HDAC3
SCHEMBL2072590 0.85 RAB9A (0.54) KITRAB9AALDH1A1SMN1; SMN2EGFR
SCHEMBL2074450 0.85 MAPK1 (0.51) KITRAB9AALDH1A1SMN1; SMN2HDAC3
SCHEMBL2829607 0.83 RECQL (0.56) RAB9AALDH1A1SMN1; SMN2RECQLTP53
SCHEMBL2073186 0.78 KIT (0.51) KITRAB9AALDH1A1SMN1; SMN2HDAC3
SCHEMBL2072482 0.77 KIT (0.48) KITSMN1; SMN2HDAC3ABL1BCR
SCHEMBL2074482 0.77 KIT (0.46) KITRAB9AALDH1A1SMN1; SMN2HDAC3
SCHEMBL2074203 0.76 MAPK1 (0.51) KITSMN1; SMN2HDAC3ABL1BCR
SCHEMBL2828961 0.76 RAB9A (0.59) RAB9AALDH1A1SMN1; SMN2TP53NPC1

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 3 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
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 KIT 109/4885RAB9A 1046/4885ALDH1A1 1692/4885

“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.