SCHEMBL192920

SCHEMBL192920

c1ccc(CSc2ncnc3[nH]ccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 1.00
DBF4 Q9UBU7 3/20 1.00
NOTUM Q6P988 1/20 0.61
ALDH1A1 P00352 5/20 0.59
TDP1 Q9NUW8 2/20 0.59
HTT P42858 1/20 0.59
PKM P14618 4/20 0.54
MAPT P10636 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
CSF1R P07333 1/20 0.51
JAK2 O60674 1/20 0.50
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
ICAM1 P05362 1/20 0.48
SELE P16581 1/20 0.48

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
SCHEMBL17954541 0.78 CDC7 (0.63) CDC7DBF4NOTUMCSF1RJAK2
SCHEMBL12609131 0.76 CDC7 (0.61) CDC7DBF4NOTUMCSF1RJAK2
SCHEMBL191691 0.76 CDC7 (0.61) CDC7DBF4NOTUMALDH1A1MAPT
SCHEMBL2120063 0.76 CDC7 (0.61) CDC7DBF4ALDH1A1TDP1HTT
SCHEMBL31186612 0.76 CDC7 (0.61) CDC7DBF4ALDH1A1TDP1HTT
SCHEMBL10483749 0.74 ALDH1A1 (1.00) CDC7DBF4ALDH1A1TDP1HTT
SCHEMBL8929582 0.73 CDC7 (0.57) CDC7DBF4NOTUMCSF1RJAK2
SCHEMBL22166100 0.73 ALDH1A1 (0.67) CDC7DBF4NOTUMALDH1A1HTT
SCHEMBL1798390 0.72 CDC7 (0.56) CDC7DBF4NOTUMCSF1RJAK2
SCHEMBL15313081 0.72 CDC7 (0.56) CDC7DBF4ALDH1A1TDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210346388-A1 CDC7-Inhibiting Purine Derivatives and their use for the Treatment of Neurological Conditions CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2021-11-11 US claimed
EP-3854401-A1 CDC7-INHIBITING PURINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2021-07-28 EP claimed
US-20210346388-A1 CDC7-Inhibiting Purine Derivatives and their use for the Treatment of Neurological Conditions CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2021-11-11 US disclosed
EP-3854401-A1 CDC7-INHIBITING PURINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2021-07-28 EP disclosed
US-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
CN-110003216-A E1 activating enzyme inhibitors 千禧药品公司 2019-07-12 CN disclosed
CN-106008512-B E1 activating enzyme inhibitors 千禧药品公司 2019-03-12 CN disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-8207177-B2 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
EP-2402334-A1 Inhibitors of E1 Activating Enzymes Millennium Pharmaceuticals, Inc. (US) 2012-01-04 EP disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 US disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 US disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 US disclosed
US-20050239806-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases AMBIT BIOSCIENCES CORPORATION 2005-10-27 US disclosed
WO-2005069865-A2 PYRROLOPYRIMIDINE DERIVATIVES AND ANALOGS AND THEIR USE IN THE TREATMENT AND PREVENTION OF DISEASES AMBIT BIOSCIENCES CORPORATION (US) 2005-08-04 WO disclosed
US-20050165029-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases AMBIT BIOSCIENCES CORPORATION 2005-07-28 US disclosed
EP-0795556-A1 4-Substituted pyrrolopyrimidine compounds as tyrosin kinase inhibitors PHARMACIA & UPJOHN S.p.A. (IT) 1997-09-17 EP 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 (6 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-20050165029-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases PRKDC, PRKCA, PRKACA CDC7 318/4885DBF4 3089/4885NOTUM 3217/4885
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 CDC7 342/4885DBF4 3600/4885NOTUM 1895/4885
US-20210346388-A1 CDC7-Inhibiting Purine Derivatives and their use for the Treatment of Neurological Conditions CDC7, TARDBP, TDP1 CDC7 1/4885DBF4 519/4885NOTUM 3906/4885
US-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 CDC7 342/4885DBF4 3600/4885NOTUM 1895/4885
US-20050239806-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases PRKDC, PRKCA, PRKACA CDC7 318/4885DBF4 3089/4885NOTUM 3217/4885
US-20070191293-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 CDC7 342/4885DBF4 3600/4885NOTUM 1895/4885

“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.