SCHEMBL2723337

SCHEMBL2723337

C[C@@H]1CN(c2ccc(N)nc2)C[C@H](C)N1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
PTPN11 Q06124 3/20 0.40
CDK4 P11802 3/20 0.40
CDK6 Q00534 3/20 0.40
CCND1 P24385 2/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
MAPT P10636 2/20 0.39
TGFBR1 P36897 1/20 0.39
ACVR1 Q04771 1/20 0.39
KCNH2 Q12809 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL2821416 1.00 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3PTPN11
SCHEMBL29437368 1.00 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3PTPN11
SCHEMBL1393583 0.84 MAPT (0.49) CHRNB2CHRNA4CHRNB4CHRNA3DRD2
SCHEMBL25949375 0.84 CHRNB2 (0.47) CHRNB2CHRNA4CDK4CDK6CCND1
SCHEMBL22414247 0.84 CHRNB2 (0.47) CHRNB2CHRNA4CDK4CDK6CCND1
SCHEMBL2819513 0.84 CHRNB2 (0.47) CHRNB2CHRNA4CDK4CDK6CCND1
SCHEMBL18479425 0.81 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CDK4
SCHEMBL12594311 0.81 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CDK4
SCHEMBL4825445 0.80 MAPT (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CDK4
SCHEMBL2722889 0.80 MAPT (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4596051-A2 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION Pharmacosmos Holding A/s (DK) 2025-08-06 EP disclosed
US-12285431-B2 Treatment of Rb-negative tumors using topoisomerase inhibitors in combination with cyclin dependent kinase 4/6 inhibitors PHARMACOSMOS HOLDING A/S (DK) 2025-04-29 US disclosed
EP-2968291-B1 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION PHARMACOSMOS HOLDING AS (DK) 2025-04-16 EP disclosed
US-20240109906-A1 CDK INHIBITORS G1 THERAPEUTICS, INC. (US) 2024-04-04 US disclosed
US-20230381189-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY G1 THERAPEUTICS, INC. (US) 2023-11-30 US disclosed
US-20230381189-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY G1 THERAPEUTICS, INC. (US) 2023-11-30 US disclosed
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-20230364098-A1 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION G1 THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
US-20230364098-A1 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION G1 THERAPEUTICS, INC. (US) 2023-11-16 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
US-20130237533-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
EP-2632467-A1 CDK INHIBITORS G1 Therapeutics, Inc. (US) 2013-09-04 EP disclosed
WO-2012061156-A1 CDK INHIBITORS TAVARES FRANCIS X (US) 2012-05-10 WO disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 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 (8 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 CHRNB2 4799/4885CHRNA4 4829/4885CHRNB4 4840/4885
US-20240109906-A1 CDK INHIBITORS CDK3, CDK9, CDK6 CHRNB2 4799/4885CHRNA4 4829/4885CHRNB4 4840/4885
US-20230364098-A1 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION RB1, CDK4, CDKN1A CHRNB2 4435/4885CHRNA4 4373/4885CHRNB4 4141/4885
US-12285431-B2 Treatment of Rb-negative tumors using topoisomerase inhibitors in combination with cyclin dependent kinase 4/6 inhibitors RB1, CDK4, CDK6 CHRNB2 4420/4885CHRNA4 4014/4885CHRNB4 3778/4885
US-20230381189-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY CDK6, CCNC, MCL1 CHRNB2 4758/4885CHRNA4 4418/4885CHRNB4 4497/4885
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 CHRNB2 4651/4885CHRNA4 3855/4885CHRNB4 4614/4885
US-20130237533-A1 CDK Inhibitors CDK3, CDK9, CDK6 CHRNB2 4799/4885CHRNA4 4829/4885CHRNB4 4840/4885
US-20130237544-A1 CDK INHIBITORS CDK3, CDK9, CDK6 CHRNB2 4799/4885CHRNA4 4829/4885CHRNB4 4840/4885

“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.