SCHEMBL4549856

SCHEMBL4549856

O=C(NCC1(Nc2nc(Cl)ncc2Br)CCCC1)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
P2RX7 Q99572 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.38
FSHR P23945 2/20 0.38
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
NPSR1 Q6W5P4 1/20 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
SCHEMBL25857102 0.99 ALDH1A1 (0.41) ALDH1A1P2RX7CTSLCTSBCTSS
SCHEMBL21967065 0.83 MEN1 (0.34) P2RX7LMNAMEN1KMT2A
SCHEMBL21967075 0.82 KMT2A (0.34) P2RX7LMNAMEN1KMT2A
SCHEMBL2726118 0.81 STK17B (0.48) P2RX7MAPKAPK2MEN1KMT2A
SCHEMBL15249204 0.80 CTSS (0.36) ALDH1A1P2RX7CTSLCTSBCTSS
SCHEMBL2724465 0.80 STK17B (0.47) P2RX7MAPKAPK2MEN1KMT2A
SCHEMBL25857100 0.79 CTSS (0.38) ALDH1A1P2RX7CTSLCTSBCTSS
SCHEMBL1284434 0.78 SIRT5 (0.50) P2RX7LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL16057286 0.78 HTT (0.50) LMNASMN1; SMN2HTTL3MBTL1KEAP1
SCHEMBL5149463 0.77 TGM2 (0.50) LMNASMN1; SMN2HTTL3MBTL1KEAP1

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381189-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY G1 THERAPEUTICS, INC. (US) 2023-11-30 US disclosed
US-20230364098-A1 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION G1 THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
US-20230248733-A1 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2023-08-10 US disclosed
US-11717523-B2 Transient protection of normal cells during chemotherapy G1 THERAPEUTICS, INC. (US) 2023-08-08 US disclosed
US-20230241059-A1 ANTI-NEOPLASTIC COMBINATIONS AND DOSING REGIMENS USING CDK4/6 INHIBITOR COMPOUNDS TO TREAT RB-POSITIVE TUMORS G1 THERAPEUTICS, INC. (US) 2023-08-03 US disclosed
US-11654148-B2 HSPC-sparing treatments for RB-positive abnormal cellular proliferation G1 THERAPEUTICS, INC. (US) 2023-05-23 US disclosed
US-20180221378-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY G1 THERAPEUTICS, INC. (US) 2018-08-09 US disclosed
US-20180201619-A1 CDK INHIBITORS G1 THERAPEUTICS, INC. (US) 2018-07-19 US disclosed
US-20180201618-A1 CDK INHIBITORS G1 THERAPEUTICS, INC. (US) 2018-07-19 US disclosed
US-20180201617-A1 CDK Inhibitors G1 THERAPEUTICS, INC. (US) 2018-07-19 US disclosed
US-8822683-B2 CDK inhibitors G1 THERAPEUTICS, INC. (US) 2014-09-02 US disclosed
US-20140142306-A1 CDK Inhibitors G1 THERAPEUTICS, INC. (US) 2014-05-22 US disclosed
US-20140142306-A1 CDK Inhibitors G1 THERAPEUTICS, INC. (US) 2014-05-22 US disclosed
US-20140142299-A1 CDK Inhibitors G1 THERAPEUTICS, INC. (US) 2014-05-22 US disclosed
US-20140142299-A1 CDK Inhibitors G1 THERAPEUTICS, INC. (US) 2014-05-22 US disclosed
US-20130237544-A1 CDK INHIBITORS G1 THERAPEUTICS, INC. (US) 2013-09-12 US disclosed
US-20130237544-A1 CDK INHIBITORS G1 THERAPEUTICS, INC. (US) 2013-09-12 US disclosed
US-20130237534-A1 CDK INHIBITORS G1 THERAPEUTICS, INC. (US) 2013-09-12 US disclosed
US-20130237534-A1 CDK INHIBITORS G1 THERAPEUTICS, INC. (US) 2013-09-12 US disclosed
WO-2012061156-A1 CDK INHIBITORS TAVARES FRANCIS X (US) 2012-05-10 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 (14 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-20130237534-A1 CDK INHIBITORS CDK3, CDK9, CDK6 ALDH1A1 2981/4885P2RX7 4577/4885CTSL 2084/4885
US-20230364098-A1 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION RB1, CDK4, CDKN1A ALDH1A1 1183/4885P2RX7 3653/4885CTSL 2899/4885
US-20230248733-A1 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS MKI67, PCNA, HRAS ALDH1A1 1438/4885P2RX7 4661/4885CTSL 1154/4885
US-20180201618-A1 CDK INHIBITORS CDK3, CDK9, CDK6 ALDH1A1 2981/4885P2RX7 4577/4885CTSL 2084/4885
US-20230381189-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY CDK6, CCNC, MCL1 ALDH1A1 1726/4885P2RX7 4351/4885CTSL 1815/4885
US-20140142306-A1 CDK Inhibitors CDK3, CDK9, CDK6 ALDH1A1 2981/4885P2RX7 4577/4885CTSL 2084/4885
US-20180201619-A1 CDK INHIBITORS CDK3, CDK9, CDK6 ALDH1A1 2981/4885P2RX7 4577/4885CTSL 2084/4885
US-20230241059-A1 ANTI-NEOPLASTIC COMBINATIONS AND DOSING REGIMENS USING CDK4/6 INHIBITOR COMPOUNDS TO TREAT RB-POSITIVE TUMORS CDK4, RB1, BTK ALDH1A1 4055/4885P2RX7 3874/4885CTSL 3197/4885
US-20140142299-A1 CDK Inhibitors CDK3, CDK9, CDK6 ALDH1A1 2981/4885P2RX7 4577/4885CTSL 2084/4885
US-11654148-B2 HSPC-sparing treatments for RB-positive abnormal cellular proliferation RB1, CDK4, CDKN1A ALDH1A1 1183/4885P2RX7 3653/4885CTSL 2899/4885
US-20180221378-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY CDK6, CCNC, MCL1 ALDH1A1 1726/4885P2RX7 4351/4885CTSL 1815/4885
US-11717523-B2 Transient protection of normal cells during chemotherapy CDK6, CCNC, MCL1 ALDH1A1 1726/4885P2RX7 4351/4885CTSL 1815/4885
US-20180201617-A1 CDK Inhibitors CDK3, CDK9, CDK6 ALDH1A1 2981/4885P2RX7 4577/4885CTSL 2084/4885
US-20130237544-A1 CDK INHIBITORS CDK3, CDK9, CDK6 ALDH1A1 2981/4885P2RX7 4577/4885CTSL 2084/4885

“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.