SCHEMBL16057604

SCHEMBL16057604

O=C(O)N[C@H]1CCC[C@@H]1Nc1nc(Cl)ncc1Br

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
SELP P16109 1/20 0.36
TYRO3 Q06418 1/20 0.36
HCRTR1 O43613 10/20 0.34
MEN1 O00255 1/20 0.34
AURKB Q96GD4 2/20 0.34
AURKA O14965 1/20 0.34
ABL1 P00519 2/20 0.33
BCR P11274 2/20 0.33
MAPK3 P27361 1/20 0.33
KDR P35968 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33

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
SCHEMBL3580218 0.88 AURKB (0.39) KMT2ASELPTYRO3HCRTR1MEN1
SCHEMBL4378862 0.83 KMT2A (0.45) KMT2ATYRO3MEN1AURKBAURKA
SCHEMBL4378859 0.83 KMT2A (0.45) KMT2ATYRO3MEN1AURKBAURKA
SCHEMBL22501580 0.82 SELP (0.43) KMT2ASELPTYRO3MEN1JAK1
SCHEMBL4549835 0.82 STK17B (0.43) KMT2AHCRTR1ABL1BCR
SCHEMBL29437412 0.82 STK17B (0.43) KMT2AHCRTR1ABL1BCR
SCHEMBL3574419 0.80 AURKB (0.39) KMT2ASELPTYRO3MEN1AURKB
SCHEMBL22501744 0.80 KMT2A (0.40) KMT2ASELPTYRO3MEN1ABL1
SCHEMBL22553562 0.80 KMT2A (0.40) KMT2ASELPTYRO3MEN1ABL1
SCHEMBL4577037 0.80 KMT2A (0.43) KMT2ASELPTYRO3MEN1JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395259-A1 CDK INHIBITORS G1 THERAPEUTICS, INC. (US) 2021-12-23 US disclosed
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
WO-2016040848-A1 TREATMENT OF RB-NEGATIVE TUMORS USING TOPOISOMERASE INHIBITORS IN COMBINATION WITH CYCLIN DEPENDENT KINASE 4/6 INHIBITORS G1 THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
EP-2968291-A2 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION G1 Therapeutics, Inc. (US) 2016-01-20 EP disclosed
EP-2967050-A2 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS G1 Therapeutics, Inc. (US) 2016-01-20 EP disclosed
EP-2968290-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY G1 Therapeutics, Inc. (US) 2016-01-20 EP disclosed
WO-2014144740-A2 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2014-09-18 WO disclosed
WO-2014144847-A2 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION G1 THERAPEUTICS, INC. (US) 2014-09-18 WO disclosed
WO-2014144326-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY G1 THERAPEUTICS, INC. (US) 2014-09-18 WO 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 (4 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-20210395259-A1 CDK INHIBITORS CDK3, CDK9, CDK6 KMT2A 276/4885SELP 4806/4885TYRO3 2955/4885
US-20200277300-A1 CDK INHIBITORS CDK3, CDK9, CDK6 KMT2A 276/4885SELP 4806/4885TYRO3 2955/4885
US-10927120-B2 CDK inhibitors CDK3, CDK9, CDK6 KMT2A 276/4885SELP 4806/4885TYRO3 2955/4885
US-10660896-B2 Transient protection of normal cells during chemotherapy CDK6, CCNC, MCL1 KMT2A 513/4885SELP 3392/4885TYRO3 4284/4885

“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.