SCHEMBL21967065

SCHEMBL21967065

O=C(O)NCC1(Nc2nc(Cl)ncc2Br)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX7 Q99572 1/20 0.31
LMNA P02545 1/20 0.30
STK17B O94768 1/20 0.30
STK17A Q9UEE5 1/20 0.30

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
SCHEMBL21967075 0.99 KMT2A (0.34) MEN1KMT2AP2RX7LMNA
SCHEMBL20913354 0.84 P2RX7 (0.31) KMT2AP2RX7
SCHEMBL20959581 0.84 HTR3E (0.34) KMT2AP2RX7
SCHEMBL2726118 0.83 STK17B (0.48) MEN1KMT2AP2RX7STK17BSTK17A
SCHEMBL2724465 0.82 STK17B (0.47) MEN1KMT2AP2RX7STK17BSTK17A
SCHEMBL25857102 0.82 ALDH1A1 (0.41) MEN1KMT2AP2RX7LMNA
SCHEMBL4578460 0.82 LATS1 (0.40) MEN1KMT2A
SCHEMBL20959576 0.81 PIN1 (0.46) P2RX7LMNA
SCHEMBL31669584 0.78 MEN1 (0.33) MEN1KMT2A
SCHEMBL22977614 0.75 MAPK1 (0.34) P2RX7

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-10927120-B2 CDK inhibitors GI Therapeutics, Inc. (NC) 2021-02-23 US disclosed
US-20200277300-A1 CDK INHIBITORS G1 THERAPEUTICS, INC. (US) 2020-09-03 US disclosed
US-10660896-B2 Transient protection of normal cells during chemotherapy GI Therapeutics, Inc. (US) 2020-05-26 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 (3 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-20200277300-A1 CDK INHIBITORS CDK3, CDK9, CDK6 MEN1 2275/4885KMT2A 276/4885P2RX7 4577/4885
US-10927120-B2 CDK inhibitors CDK3, CDK9, CDK6 MEN1 2275/4885KMT2A 276/4885P2RX7 4577/4885
US-10660896-B2 Transient protection of normal cells during chemotherapy CDK6, CCNC, MCL1 MEN1 3666/4885KMT2A 513/4885P2RX7 4351/4885

“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.