SCHEMBL12714645

SCHEMBL12714645

Nc1cccc2c1C(=O)N1CCCCC21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 14/20 0.43
▸ HTR2C P28335 12/20 0.43
▸ HTR2A P28223 9/20 0.42
▸ CRBN Q96SW2 2/20 0.41
▸ TMEM97 Q5BJF2 2/20 0.39
▸ PABPC1 P11940 2/20 0.38
▸ TNF P01375 1/20 0.37
▸ IL1B P01584 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ IKZF1 Q13422 1/20 0.37
▸ DDB1 Q16531 1/20 0.37
▸ IKZF3 Q9UKT9 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL12718333 0.85 HTR2C (0.43) HTR2BHTR2CHTR2ACRBNDDB1
SCHEMBL1720863 0.76 CDK5 (0.50) —
SCHEMBL7270276 0.74 ALDH1A1 (0.58) HTR2BCRBNTMEM97TNFIL1B
SCHEMBL12714525 0.73 TMEM97 (0.43) HTR2BHTR2ATMEM97KDM4EKMT2A
SCHEMBL5666976 0.71 CDK4 (0.51) HTR2BTMEM97
SCHEMBL29987788 0.69 HTR2A (0.59) HTR2BHTR2CHTR2AMGLLKDM4E
SCHEMBL18153233 0.69 HTR2A (0.59) HTR2BHTR2CHTR2AMGLLKDM4E
SCHEMBL31252784 0.67 PARP1 (0.67) CRBNKDM4EMEN1KMT2A
SCHEMBL12714310 0.67 PARP1 (0.67) CRBNKDM4EMEN1KMT2A
SCHEMBL12714484 0.66 TMEM97 (0.44) HTR2BHTR2CHTR2ACRBNTMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 — — US disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 — — US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 — — US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 — — US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 — — US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 — — 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP HTR2B 3945/4885HTR2C 3994/4885HTR2A 3341/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP HTR2B 3945/4885HTR2C 3994/4885HTR2A 3341/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP HTR2B 3945/4885HTR2C 3994/4885HTR2A 3341/4885

“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.

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