SCHEMBL7797438

SCHEMBL7797438

COc1cc2c(Cl)nc(Cl)nc2c(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.50
PDE1B Q01064 2/20 0.42
MAOA P21397 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
G6PD P11413 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HK1 P19367 1/20 0.39
CYP2C19 P33261 1/20 0.39
MPI P34949 1/20 0.39

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
SCHEMBL16689314 0.87 PDE5A (0.39) PDE5APDE1BMAOAADORA3ADORA2A
SCHEMBL28493970 0.87 PDE5A (0.39) PDE5APDE1BADORA3ADORA2AALDH1A1
SCHEMBL16689304 0.87 HSP90AA1 (0.39) PDE5APDE1BALDH1A1MAPTKDM4E
SCHEMBL7794238 0.84 PDE5A (0.49) PDE5APDE1BMAOAALDH1A1MEN1
SCHEMBL10957300 0.84 YTHDC1 (0.35) PDE5AADORA3ADORA2AALDH1A1MAPT
SCHEMBL9038418 0.83 PDE5A (0.64) PDE5APDE1BMAOAKMT2ASMN1; SMN2
SCHEMBL10955681 0.81 ALDH1A1 (0.49) PDE5APDE1BADORA3ADORA2AALDH1A1
SCHEMBL30615164 0.81 ALDH1A1 (0.49) PDE5APDE1BADORA3ADORA2AALDH1A1
SCHEMBL856422 0.79 PDE5A (0.68) PDE5APDE1BALDH1A1MAPTMEN1
SCHEMBL27296032 0.79 SMN1; SMN2 (0.35) ALDH1A1MAPTKDM4ECYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108614-A1 Substituted 2-Amino-Quinazolin-4-Cn Compounds for Use in the Treatment of Cns Disorders, Pain, Stroke, Addiction and Epilepsy, their Preparation and Use as Intermediates LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2008-05-08 US disclosed
US-20080108614-A1 Substituted 2-Amino-Quinazolin-4-Cn Compounds for Use in the Treatment of Cns Disorders, Pain, Stroke, Addiction and Epilepsy, their Preparation and Use as Intermediates LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2008-05-08 US disclosed
US-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives PAMUKCU RIFAT (US) 2001-10-18 US disclosed
US-6262059-B1 Method of treating a patient having precancerous lesions with quinazoline derivatives CELL PATHWAYS, INC. 2001-07-17 US disclosed
US-6046206-A Method of treating a patient having a precancerous lesions with amide quinazoline derivatives CELL PATHWAYS, INC. (US) 2000-04-04 US disclosed
US-5801180-A ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS EISAI CO., LTD. (JP) 1998-09-01 US disclosed
US-5693652-A Benzimidazoles for ischemic heart conditions EISAI CO., LTD. (JP) 1997-12-02 US disclosed
US-5576322-A Anti-ischemic 2,4-diaminoquinazolines EISAI CO., LTD. (JP) 1996-11-19 US disclosed
EP-0393574-B1 Hexitol derivatives KYOWA HAKKO KOGYO KK (JP) 1996-01-31 EP disclosed
EP-0607439-A1 NITROGENOUS HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 1994-07-27 EP disclosed
US-5053408-A Cardiovascular disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-10-01 US disclosed
US-4351832-A 2-(Piperazinyl)-4-pyrimidinamines AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-28 US disclosed
US-4333937-A 2-(Piperazinyl)-4-pyrimioinamines AMERICAN HOME PRODUCTS CORP. (US) 1982-06-08 US disclosed
EP-0039190-A1 2-(1-Piperazinyl)-4-pyrimidinamines and related compounds AMERICAN HOME PRODUCTS CORPORATION (US) 1981-11-04 EP disclosed
WO-1981003022-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PROD (US) 1981-10-29 WO disclosed
EP-0056027-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PRODUCTS CORPORATION (US) 1981-10-29 EP disclosed
US-4102885-A Process for preparing 2,4-dihaloquinazolines BRISTOL-MYERS COMPANY (US) 1978-07-25 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 (2 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-20080108614-A1 Substituted 2-Amino-Quinazolin-4-Cn Compounds for Use in the Treatment of Cns Disorders, Pain, Stroke, Addiction and Epilepsy, their Preparation and Use as Intermediates CNR2, CNR1, GRIN2C PDE5A 1306/4885PDE1B 1656/4885MAOA 372/4885
US-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives MKI67, PCNA, NQO2 PDE5A 2260/4885PDE1B 2778/4885MAOA 1358/4885

“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.