Sugi Predict

Sugi Predict / Compounds / SCHEMBL6336262

SCHEMBL6336262

SCHEMBL6336262

Cc1ccc(CN2CCNCC2)cc1NC(=O)CN1C[C@@H](C)N(c2ncnc3sccc23)[C@@H](C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 7/20 0.46
▸ CDK2 P24941 6/20 0.46
▸ CCNA1 P78396 6/20 0.46
▸ CDK4 P11802 2/20 0.40
▸ CCND1 P24385 2/20 0.40
▸ CDK6 Q00534 2/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ CCNK O75909 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ ALK Q9UM73 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ABL1 P00519 2/20 0.35
▸ KIT P10721 2/20 0.35
▸ BCR P11274 2/20 0.35

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
SCHEMBL6336261 1.00 FLT3 (0.46) FLT3CDK2CCNA1CDK4CCND1
SCHEMBL6502783 0.93 CDK2 (0.46) FLT3CDK2CCNA1CDK4CCND1
SCHEMBL6332705 0.86 KMT2A (0.43) FLT3CDK2CCNA1HTR2CMEN1
SCHEMBL6332707 0.86 KMT2A (0.43) FLT3CDK2CCNA1HTR2CMEN1
SCHEMBL6334344 0.84 HRH3 (0.38) HTR2CKDR
SCHEMBL6334345 0.84 HRH3 (0.38) HTR2CKDR
SCHEMBL6500012 0.83 MEN1 (0.39) FLT3CDK2CCNA1HTR2CMEN1
SCHEMBL6332611 0.82 PKM (0.39) FLT3CDK2CCNA1CDK4CCND1
SCHEMBL6332610 0.82 PKM (0.39) FLT3CDK2CCNA1CDK4CCND1
SCHEMBL6332759 0.82 MEN1 (0.44) MEN1KMT2AL3MBTL1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969713-B2 Piperidine and piperazine acetamide derivatives ASTRAZENECA AB (SE) 2005-11-29 — — US claimed
EP-1242427-B1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-08-13 — — EP claimed
US-20030013721-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-01-16 — — US claimed
US-20050272745-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB 2005-12-08 — — US disclosed
US-6969713-B2 Piperidine and piperazine acetamide derivatives ASTRAZENECA AB (SE) 2005-11-29 — — US disclosed
EP-1242427-B1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-08-13 — — EP disclosed
US-20030013721-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-01-16 — — 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 (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-20050272745-A1 Novel piperidine and piperazine derivatives CYP3A5, IL5, ABCC5 FLT3 803/4885CDK2 719/4885CCNA1 1655/4885
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 FLT3 514/4885CDK2 657/4885CCNA1 1005/4885

“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.